CID 11272911
439937-65-2
Structural Information
- Molecular Formula
- C21H22O3PS
- SMILES
- C1=CC=C(C=C1)[P+](CCCS(=O)(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3
- InChI
- InChI=1S/C21H21O3PS/c22-26(23,24)18-10-17-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2/p+1
- InChIKey
- CHVFGCXPLGAAQN-UHFFFAOYSA-O
- Compound name
- triphenyl(3-sulfopropyl)phosphanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 386.11000 | 192.7 |
[M+Na]+ | 408.09194 | 197.0 |
[M-H]- | 384.09544 | 199.4 |
[M+NH4]+ | 403.13654 | 203.1 |
[M+K]+ | 424.06588 | 185.6 |
[M+H-H2O]+ | 368.09998 | 183.9 |
[M+HCOO]- | 430.10092 | 212.3 |
[M+CH3COO]- | 444.11657 | 205.5 |
[M+Na-2H]- | 406.07739 | 197.1 |
[M]+ | 385.10217 | 192.4 |
[M]- | 385.10327 | 192.4 |