CID 105427876

1-(3,3-difluorocyclobutyl)ethan-1-ol

Structural Information

Molecular Formula

C₆H₁₀F₂O

SMILES

CC(C1CC(C1)(F)F)O

InChI

InChI=1S/C6H10F2O/c1-4(9)5-2-6(7,8)3-5/h4-5,9H,2-3H2,1H3

InChIKey

MOJVSYLIEDZMHB-UHFFFAOYSA-N

Compound name

1-(3,3-difluorocyclobutyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 136.06998 Da
Monoisotopic Mass: 1.4
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]+	137.07726	133.6
[M+Na]+	159.05920	138.1
[M+NH4]+	154.10380	138.2
[M+K]+	175.03314	133.5
[M-H]-	135.06270	129.0
[M+Na-2H]-	157.04465	135.4
[M]+	136.06943	131.7
[M]-	136.07053	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe