CID 10932441
15893-42-2
Structural Information
- Molecular Formula
- C10H11ClO2
- SMILES
- COC1=CC=C(C=C1)CCC(=O)Cl
- InChI
- InChI=1S/C10H11ClO2/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3
- InChIKey
- FQVJPHCAWYRYCK-UHFFFAOYSA-N
- Compound name
- 3-(4-methoxyphenyl)propanoyl chloride
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 199.05203 | 138.9 |
[M+Na]+ | 221.03397 | 147.7 |
[M-H]- | 197.03747 | 142.6 |
[M+NH4]+ | 216.07857 | 159.3 |
[M+K]+ | 237.00791 | 144.4 |
[M+H-H2O]+ | 181.04201 | 134.1 |
[M+HCOO]- | 243.04295 | 158.3 |
[M+CH3COO]- | 257.05860 | 183.3 |
[M+Na-2H]- | 219.01942 | 144.3 |
[M]+ | 198.04420 | 143.2 |
[M]- | 198.04530 | 143.2 |