CID 124171544

2058331-75-0

Structural Information

Molecular Formula

C₃H₅BrF₂O

SMILES

C(C(C(F)F)O)Br

InChI

InChI=1S/C3H5BrF2O/c4-1-2(7)3(5)6/h2-3,7H,1H2

InChIKey

GOTRVWJRJWPOKV-UHFFFAOYSA-N

Compound name

3-bromo-1,1-difluoropropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 173.94917 Da
Monoisotopic Mass: 1.2
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]+	174.956446	128.3
[M+Na]+	196.938388	139.3
[M-H]-	172.941894	127.9
[M+NH4]+	191.982993	151.2
[M+K]+	212.912328	129.4
[M+H-H2O]+	156.946430	127.9
[M+HCOO]-	218.947371	145.4
[M+CH3COO]-	232.963021	175.7
[M+Na-2H]-	194.923836	133.6
[M]+	173.94862142	142.7
[M]-	173.94971858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe