PubChemLite - 2,4-difluoro-n-(2-fluoro-3-{[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl}phenyl)-n-methylbenzamide (C26H18F10N2O2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=C1NC(=O)C2=C(C(=CC=C2)N(C)C(=O)C3=C(C=C(C=C3)F)F)F)C)C(C(F)(F)F)(C(F)(F)F)F

InChI

InChI=1S/C26H18F10N2O2/c1-12-9-14(24(30,25(31,32)33)26(34,35)36)10-13(2)21(12)37-22(39)17-5-4-6-19(20(17)29)38(3)23(40)16-8-7-15(27)11-18(16)28/h4-11H,1-3H3,(H,37,39)

InChIKey

MWWUKIVQAYLTRT-UHFFFAOYSA-N

Compound name

3-[(2,4-difluorobenzoyl)-methylamino]-2-fluoro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]benzamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	581.12813	231.6
[M+Na]+	603.11007	240.8
[M-H]-	579.11357	230.8
[M+NH4]+	598.15467	235.4
[M+K]+	619.08401	234.4
[M+H-H2O]+	563.11811	214.1
[M+HCOO]-	625.11905	238.5
[M+CH3COO]-	639.13470	263.6
[M+Na-2H]-	601.09552	225.9
[M]+	580.12030	221.1
[M]-	580.12140	221.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

581.12813

231.6

[M+Na]+

603.11007

240.8

[M-H]-

579.11357

230.8

[M+NH4]+

598.15467

235.4

[M+K]+

619.08401

234.4

[M+H-H2O]+

563.11811

214.1

[M+HCOO]-

625.11905

238.5

[M+CH3COO]-

639.13470

263.6

[M+Na-2H]-

601.09552

225.9

[M]+

580.12030

221.1

[M]-

580.12140

221.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2,4-difluoro-n-(2-fluoro-3-{[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl}phenyl)-n-methylbenzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe