CID 18621
Caswell no. 370
Structural Information
- Molecular Formula
- C9H13O4PS
- SMILES
- COP(=O)(OC)OC1=CC=C(C=C1)SC
- InChI
- InChI=1S/C9H13O4PS/c1-11-14(10,12-2)13-8-4-6-9(15-3)7-5-8/h4-7H,1-3H3
- InChIKey
- BUDNNLHZOCBLAU-UHFFFAOYSA-N
- Compound name
- dimethyl (4-methylsulfanylphenyl) phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 249.03450 | 150.5 |
[M+Na]+ | 271.01644 | 158.5 |
[M-H]- | 247.01994 | 153.4 |
[M+NH4]+ | 266.06104 | 169.0 |
[M+K]+ | 286.99038 | 157.4 |
[M+H-H2O]+ | 231.02448 | 142.1 |
[M+HCOO]- | 293.02542 | 174.9 |
[M+CH3COO]- | 307.04107 | 190.9 |
[M+Na-2H]- | 269.00189 | 152.3 |
[M]+ | 248.02667 | 158.6 |
[M]- | 248.02777 | 158.6 |