PubChemLite - Tfpo-cf2-3hfadfp (C26H21F7O2)

Structural Information

Molecular Formula

SMILES

CCCC1CCC(O1)C2=CC=C(C=C2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F

InChI

InChI=1S/C26H21F7O2/c1-2-3-17-8-9-23(34-17)15-6-4-14(5-7-15)16-10-19(27)24(20(28)11-16)26(32,33)35-18-12-21(29)25(31)22(30)13-18/h4-7,10-13,17,23H,2-3,8-9H2,1H3

InChIKey

QETUDNRIFMEOMM-UHFFFAOYSA-N

Compound name

2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]phenyl]-5-propyloxolane

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]+	499.15025	219.0
[M+Na]+	521.13219	229.0
[M-H]-	497.13569	224.0
[M+NH4]+	516.17679	226.6
[M+K]+	537.10613	221.4
[M+H-H2O]+	481.14023	203.7
[M+HCOO]-	543.14117	229.7
[M+CH3COO]-	557.15682	242.5
[M+Na-2H]-	519.11764	211.7
[M]+	498.14242	213.3
[M]-	498.14352	213.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

499.15025

219.0

[M+Na]+

521.13219

229.0

[M-H]-

497.13569

224.0

[M+NH4]+

516.17679

226.6

[M+K]+

537.10613

221.4

[M+H-H2O]+

481.14023

203.7

[M+HCOO]-

543.14117

229.7

[M+CH3COO]-

557.15682

242.5

[M+Na-2H]-

519.11764

211.7

[M]+

498.14242

213.3

[M]-

498.14352

213.3

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

Tfpo-cf2-3hfadfp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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