CID 160791
Methyltrichlorovinylketone
Structural Information
- Molecular Formula
- C4H3Cl3O
- SMILES
- CC(=O)C(=C(Cl)Cl)Cl
- InChI
- InChI=1S/C4H3Cl3O/c1-2(8)3(5)4(6)7/h1H3
- InChIKey
- YIQIQDJXRIRNTD-UHFFFAOYSA-N
- Compound name
- 3,4,4-trichlorobut-3-en-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 172.93222 | 125.7 |
[M+Na]+ | 194.91416 | 134.7 |
[M-H]- | 170.91766 | 124.9 |
[M+NH4]+ | 189.95876 | 147.0 |
[M+K]+ | 210.88810 | 130.5 |
[M+H-H2O]+ | 154.92220 | 124.7 |
[M+HCOO]- | 216.92314 | 133.1 |
[M+CH3COO]- | 230.93879 | 178.0 |
[M+Na-2H]- | 192.89961 | 128.3 |
[M]+ | 171.92439 | 126.9 |
[M]- | 171.92549 | 126.9 |