CID 11746

2,3-dibromopropionic acid

Structural Information

Molecular Formula
C3H4Br2O2
SMILES
C(C(C(=O)O)Br)Br
InChI
InChI=1S/C3H4Br2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)
InChIKey
ZMYAKSMZTVWUJB-UHFFFAOYSA-N
Compound name
2,3-dibromopropanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

1764
Patents

229.8578 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.86508 127.5
[M+Na]+ 252.84702 138.0
[M-H]- 228.85052 130.8
[M+NH4]+ 247.89162 147.9
[M+K]+ 268.82096 123.1
[M+H-H2O]+ 212.85506 135.7
[M+HCOO]- 274.85600 142.0
[M+CH3COO]- 288.87165 191.6
[M+Na-2H]- 250.83247 134.0
[M]+ 229.85725 160.2
[M]- 229.85835 160.2
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

No patent data available for this compound.