CID 6433692
17306-04-6
Structural Information
- Molecular Formula
- C9H6BrClO
- SMILES
- C1=CC(=CC=C1C(=O)/C=C/Cl)Br
- InChI
- InChI=1S/C9H6BrClO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-6H/b6-5+
- InChIKey
- RXPBSMJSLNBUBZ-AATRIKPKSA-N
- Compound name
- (E)-1-(4-bromophenyl)-3-chloroprop-2-en-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 244.93634 | 140.0 |
[M+Na]+ | 266.91828 | 153.0 |
[M-H]- | 242.92178 | 146.5 |
[M+NH4]+ | 261.96288 | 162.2 |
[M+K]+ | 282.89222 | 139.8 |
[M+H-H2O]+ | 226.92632 | 141.5 |
[M+HCOO]- | 288.92726 | 157.4 |
[M+CH3COO]- | 302.94291 | 187.0 |
[M+Na-2H]- | 264.90373 | 147.1 |
[M]+ | 243.92851 | 160.1 |
[M]- | 243.92961 | 160.1 |