CID 84020823

2-(2,2-difluorocyclopentyl)ethan-1-ol

Structural Information

Molecular Formula

C₇H₁₂F₂O

SMILES

C1CC(C(C1)(F)F)CCO

InChI

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

InChIKey

UWVJZIWXTUZQFQ-UHFFFAOYSA-N

Compound name

2-(2,2-difluorocyclopentyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 150.08562 Da
Monoisotopic Mass: 1.7
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	128.7
[M+Na]+	173.07484	136.2
[M-H]-	149.07834	128.2
[M+NH4]+	168.11944	153.0
[M+K]+	189.04878	134.3
[M+H-H2O]+	133.08288	123.2
[M+HCOO]-	195.08382	148.2
[M+CH3COO]-	209.09947	171.7
[M+Na-2H]-	171.06029	132.5
[M]+	150.08507	123.4
[M]-	150.08617	123.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.