CID 13250147

1578-21-8

Structural Information

Molecular Formula
C3H2Br2O2
SMILES
C(=C(Br)Br)C(=O)O
InChI
InChI=1S/C3H2Br2O2/c4-2(5)1-3(6)7/h1H,(H,6,7)
InChIKey
VWWPGQPTCCQNIO-UHFFFAOYSA-N
Compound name
3,3-dibromoprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

24
Patents

227.84215 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.84943 125.8
[M+Na]+ 250.83137 136.6
[M-H]- 226.83487 129.2
[M+NH4]+ 245.87597 146.3
[M+K]+ 266.80531 121.2
[M+H-H2O]+ 210.83941 134.1
[M+HCOO]- 272.84035 140.5
[M+CH3COO]- 286.85600 190.3
[M+Na-2H]- 248.81682 132.4
[M]+ 227.84160 157.9
[M]- 227.84270 157.9
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