CID 40616
53102-14-0
Structural Information
- Molecular Formula
- C5H5ClO
- SMILES
- C1CC(=O)C=C1Cl
- InChI
- InChI=1S/C5H5ClO/c6-4-1-2-5(7)3-4/h3H,1-2H2
- InChIKey
- KGKOCLPNPRMNSQ-UHFFFAOYSA-N
- Compound name
- 3-chlorocyclopent-2-en-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 117.01017 | 118.4 |
[M+Na]+ | 138.99211 | 128.4 |
[M-H]- | 114.99561 | 122.3 |
[M+NH4]+ | 134.03671 | 143.7 |
[M+K]+ | 154.96605 | 125.7 |
[M+H-H2O]+ | 99.000150 | 114.8 |
[M+HCOO]- | 161.00109 | 139.3 |
[M+CH3COO]- | 175.01674 | 165.9 |
[M+Na-2H]- | 136.97756 | 124.3 |
[M]+ | 116.00234 | 118.9 |
[M]- | 116.00344 | 118.9 |