CID 3057409
Phosphine sulfide, tris(p-methoxyphenyl)-, iodide (2:6)
Structural Information
- Molecular Formula
- C21H21O3PS
- SMILES
- COC1=CC=C(C=C1)P(=S)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
- InChI
- InChI=1S/C21H21O3PS/c1-22-16-4-10-19(11-5-16)25(26,20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21/h4-15H,1-3H3
- InChIKey
- FBNNYESSIWZQRP-UHFFFAOYSA-N
- Compound name
- tris(4-methoxyphenyl)-sulfanylidene-lambda5-phosphane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 385.10218 | 189.5 |
[M+Na]+ | 407.08412 | 196.7 |
[M-H]- | 383.08762 | 198.2 |
[M+NH4]+ | 402.12872 | 202.0 |
[M+K]+ | 423.05806 | 191.8 |
[M+H-H2O]+ | 367.09216 | 177.8 |
[M+HCOO]- | 429.09310 | 212.4 |
[M+CH3COO]- | 443.10875 | 218.6 |
[M+Na-2H]- | 405.06957 | 188.5 |
[M]+ | 384.09435 | 195.1 |
[M]- | 384.09545 | 195.1 |