CID 32876
Mcpa-thioethyl
Structural Information
- Molecular Formula
- C11H13ClO2S
- SMILES
- CCSC(=O)COC1=C(C=C(C=C1)Cl)C
- InChI
- InChI=1S/C11H13ClO2S/c1-3-15-11(13)7-14-10-5-4-9(12)6-8(10)2/h4-6H,3,7H2,1-2H3
- InChIKey
- AZFKQCNGMSSWDS-UHFFFAOYSA-N
- Compound name
- S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 245.03977 | 149.3 |
[M+Na]+ | 267.02171 | 158.4 |
[M-H]- | 243.02521 | 153.5 |
[M+NH4]+ | 262.06631 | 168.8 |
[M+K]+ | 282.99565 | 154.2 |
[M+H-H2O]+ | 227.02975 | 144.6 |
[M+HCOO]- | 289.03069 | 163.1 |
[M+CH3COO]- | 303.04634 | 190.5 |
[M+Na-2H]- | 265.00716 | 150.4 |
[M]+ | 244.03194 | 156.3 |
[M]- | 244.03304 | 156.3 |