CID 82633

2-bromoacrylic acid

Structural Information

Molecular Formula
C3H3BrO2
SMILES
C=C(C(=O)O)Br
InChI
InChI=1S/C3H3BrO2/c1-2(4)3(5)6/h1H2,(H,5,6)
InChIKey
HMENQNSSJFLQOP-UHFFFAOYSA-N
Compound name
2-bromoprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2735
Patents

149.93164 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.93892 120.1
[M+Na]+ 172.92086 131.5
[M-H]- 148.92436 122.3
[M+NH4]+ 167.96546 143.8
[M+K]+ 188.89480 121.8
[M+H-H2O]+ 132.92890 121.5
[M+HCOO]- 194.92984 139.7
[M+CH3COO]- 208.94549 170.6
[M+Na-2H]- 170.90631 126.8
[M]+ 149.93109 136.9
[M]- 149.93219 136.9
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