CID 638125
(e)-3-bromoacrylic acid
Structural Information
- Molecular Formula
- C3H3BrO2
- SMILES
- C(=C/Br)\C(=O)O
- InChI
- InChI=1S/C3H3BrO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1+
- InChIKey
- POAWTYXNXPEWCO-OWOJBTEDSA-N
- Compound name
- (E)-3-bromoprop-2-enoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 150.93892 | 119.7 |
[M+Na]+ | 172.92086 | 131.5 |
[M-H]- | 148.92436 | 122.0 |
[M+NH4]+ | 167.96546 | 143.7 |
[M+K]+ | 188.89480 | 121.4 |
[M+H-H2O]+ | 132.92890 | 121.2 |
[M+HCOO]- | 194.92984 | 140.4 |
[M+CH3COO]- | 208.94549 | 169.2 |
[M+Na-2H]- | 170.90631 | 127.8 |
[M]+ | 149.93109 | 137.1 |
[M]- | 149.93219 | 137.1 |