CID 59340973

(3,3-difluorocyclopentyl)methanol

Structural Information

Molecular Formula

C₆H₁₀F₂O

SMILES

C1CC(CC1CO)(F)F

InChI

InChI=1S/C6H10F2O/c7-6(8)2-1-5(3-6)4-9/h5,9H,1-4H2

InChIKey

QLMRIAAVEVHRJH-UHFFFAOYSA-N

Compound name

(3,3-difluorocyclopentyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 136.06998 Da
Monoisotopic Mass: 1.3
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]+	137.07726	129.7
[M+Na]+	159.05920	137.8
[M+NH4]+	154.10380	138.4
[M+K]+	175.03314	132.3
[M-H]-	135.06270	127.7
[M+Na-2H]-	157.04465	133.8
[M]+	136.06943	130.0
[M]-	136.07053	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe