CID 125424508

1137162-24-3

Structural Information

Molecular Formula

C₁₀H₇F₇O

SMILES

C1=CC(=CC=C1CO)C(C(F)(F)F)(C(F)(F)F)F

InChI

InChI=1S/C10H7F7O/c11-8(9(12,13)14,10(15,16)17)7-3-1-6(5-18)2-4-7/h1-4,18H,5H2

InChIKey

GKVZAWSAJJIQMI-UHFFFAOYSA-N

Compound name

[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 276.0385 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

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]+	277.04578	151.8
[M+Na]+	299.02772	161.1
[M-H]-	275.03122	145.6
[M+NH4]+	294.07232	167.2
[M+K]+	315.00166	156.9
[M+H-H2O]+	259.03576	141.4
[M+HCOO]-	321.03670	162.4
[M+CH3COO]-	335.05235	195.0
[M+Na-2H]-	297.01317	156.3
[M]+	276.03795	141.3
[M]-	276.03905	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe