PubChemLite - 1207977-84-1 (C24H12BrF11N2O2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2F)C(=O)NC3=C(C=C(C=C3Br)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F

InChI

InChI=1S/C24H12BrF11N2O2/c25-15-10-12(21(27,23(31,32)33)24(34,35)36)9-14(22(28,29)30)18(15)38-20(40)13-7-4-8-16(17(13)26)37-19(39)11-5-2-1-3-6-11/h1-10H,(H,37,39)(H,38,40)

InChIKey

DNFHWVONJMRMFR-UHFFFAOYSA-N

Compound name

3-benzamido-N-[2-bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)phenyl]-2-fluorobenzamide

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]+	648.99794	248.1
[M+Na]+	670.97988	258.1
[M-H]-	646.98338	246.8
[M+NH4]+	666.02448	251.9
[M+K]+	686.95382	243.0
[M+H-H2O]+	630.98792	236.0
[M+HCOO]-	692.98886	250.6
[M+CH3COO]-	707.00451	259.3
[M+Na-2H]-	668.96533	245.0
[M]+	647.99011	250.5
[M]-	647.99121	250.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

648.99794

248.1

[M+Na]+

670.97988

258.1

[M-H]-

646.98338

246.8

[M+NH4]+

666.02448

251.9

[M+K]+

686.95382

243.0

[M+H-H2O]+

630.98792

236.0

[M+HCOO]-

692.98886

250.6

[M+CH3COO]-

707.00451

259.3

[M+Na-2H]-

668.96533

245.0

[M]+

647.99011

250.5

[M]-

647.99121

250.5

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

1207977-84-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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