CID 139023981

2-ethyl-3,3-difluorobutan-1-ol

Structural Information

Molecular Formula

C₆H₁₂F₂O

SMILES

CCC(CO)C(C)(F)F

InChI

InChI=1S/C6H12F2O/c1-3-5(4-9)6(2,7)8/h5,9H,3-4H2,1-2H3

InChIKey

UTHXFVGWLVGGCV-UHFFFAOYSA-N

Compound name

2-ethyl-3,3-difluorobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 138.08562 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]+	139.09290	131.3
[M+Na]+	161.07484	139.1
[M+NH4]+	156.11944	137.5
[M+K]+	177.04878	135.0
[M-H]-	137.07834	127.0
[M+Na-2H]-	159.06029	133.2
[M]+	138.08507	130.8
[M]-	138.08617	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.