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

1647
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

literature stripe

Patent stripe

patents stripe