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

1770
Patents

229.8578 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.865076 127.5
[M+Na]+ 252.847018 138.0
[M-H]- 228.850524 130.8
[M+NH4]+ 247.891623 147.9
[M+K]+ 268.820958 123.1
[M+H-H2O]+ 212.855060 135.7
[M+HCOO]- 274.856001 142.0
[M+CH3COO]- 288.871651 191.6
[M+Na-2H]- 250.832466 134.0
[M]+ 229.85725142 160.2
[M]- 229.85834858 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