CID 84020822

(2,2-difluorocyclohexyl)methanol

Structural Information

Molecular Formula

C₇H₁₂F₂O

SMILES

C1CCC(C(C1)CO)(F)F

InChI

InChI=1S/C7H12F2O/c8-7(9)4-2-1-3-6(7)5-10/h6,10H,1-5H2

InChIKey

RFIXBKDDBRTKOX-UHFFFAOYSA-N

Compound name

(2,2-difluorocyclohexyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 150.08562 Da
Monoisotopic Mass: 1.9
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]+	151.09290	133.5
[M+Na]+	173.07484	142.4
[M+NH4]+	168.11944	142.4
[M+K]+	189.04878	134.9
[M-H]-	149.07834	132.2
[M+Na-2H]-	171.06029	138.4
[M]+	150.08507	134.2
[M]-	150.08617	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.