CID 82051
2-(chloromethyl)-5-hydroxy-4h-pyran-4-one
Structural Information
- Molecular Formula
- C6H5ClO3
- SMILES
- C1=C(OC=C(C1=O)O)CCl
- InChI
- InChI=1S/C6H5ClO3/c7-2-4-1-5(8)6(9)3-10-4/h1,3,9H,2H2
- InChIKey
- WSVIQCQIJLDTEK-UHFFFAOYSA-N
- Compound name
- 2-(chloromethyl)-5-hydroxypyran-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 161.00000 | 123.7 |
[M+Na]+ | 182.98194 | 134.9 |
[M-H]- | 158.98544 | 127.7 |
[M+NH4]+ | 178.02654 | 144.0 |
[M+K]+ | 198.95588 | 132.8 |
[M+H-H2O]+ | 142.98998 | 119.9 |
[M+HCOO]- | 204.99092 | 143.2 |
[M+CH3COO]- | 219.00657 | 171.0 |
[M+Na-2H]- | 180.96739 | 132.3 |
[M]+ | 159.99217 | 127.7 |
[M]- | 159.99327 | 127.7 |