PubChemLite - 649561-66-0 (C29H19F17O)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

InChI

InChI=1S/C29H19F17O/c30-21(31,23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)46)16-15-17-11-13-20(14-12-17)22(47,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,47H,15-16H2

InChIKey

ONXVYKQEANDRAX-UHFFFAOYSA-N

Compound name

[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]-diphenylmethanol

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]+	707.12374	251.6
[M+Na]+	729.10568	258.2
[M-H]-	705.10918	241.1
[M+NH4]+	724.15028	249.1
[M+K]+	745.07962	250.1
[M+H-H2O]+	689.11372	231.1
[M+HCOO]-	751.11466	240.3
[M+CH3COO]-	765.13031	266.9
[M+Na-2H]-	727.09113	253.0
[M]+	706.11591	226.8
[M]-	706.11701	226.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

707.12374

251.6

[M+Na]+

729.10568

258.2

[M-H]-

705.10918

241.1

[M+NH4]+

724.15028

249.1

[M+K]+

745.07962

250.1

[M+H-H2O]+

689.11372

231.1

[M+HCOO]-

751.11466

240.3

[M+CH3COO]-

765.13031

266.9

[M+Na-2H]-

727.09113

253.0

[M]+

706.11591

226.8

[M]-

706.11701

226.8

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

649561-66-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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