CID 121553246

4,4-difluoro-2-methylbutan-1-ol

Structural Information

Molecular Formula

C₅H₁₀F₂O

SMILES

CC(CC(F)F)CO

InChI

InChI=1S/C5H10F2O/c1-4(3-8)2-5(6)7/h4-5,8H,2-3H2,1H3

InChIKey

NMYLISNJHOJHAB-UHFFFAOYSA-N

Compound name

4,4-difluoro-2-methylbutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 124.06997 Da
Monoisotopic Mass: 1.5
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]+	125.07725	126.6
[M+Na]+	147.05919	134.6
[M+NH4]+	142.10379	133.1
[M+K]+	163.03313	130.4
[M-H]-	123.06269	122.8
[M+Na-2H]-	145.04464	128.5
[M]+	124.06942	126.2
[M]-	124.07052	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe