CID 14766569

3-bromo-2,2-difluoropropanoic acid

Structural Information

Molecular Formula
C3H3BrF2O2
SMILES
C(C(C(=O)O)(F)F)Br
InChI
InChI=1S/C3H3BrF2O2/c4-1-3(5,6)2(7)8/h1H2,(H,7,8)
InChIKey
XBGZXPPIWCQMFL-UHFFFAOYSA-N
Compound name
3-bromo-2,2-difluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

187.92845 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.93573 129.0
[M+Na]+ 210.91767 140.9
[M-H]- 186.92117 128.8
[M+NH4]+ 205.96227 151.4
[M+K]+ 226.89161 130.7
[M+H-H2O]+ 170.92571 129.0
[M+HCOO]- 232.92665 146.0
[M+CH3COO]- 246.94230 176.1
[M+Na-2H]- 208.90312 136.1
[M]+ 187.92790 144.2
[M]- 187.92900 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe