CID 4367869
Oils, melaleuca
Structural Information
- Molecular Formula
- C14H31O2PS2
- SMILES
- CCCCCCCOP(=S)(OCCCCCCC)S
- InChI
- InChI=1S/C14H31O2PS2/c1-3-5-7-9-11-13-15-17(18,19)16-14-12-10-8-6-4-2/h3-14H2,1-2H3,(H,18,19)
- InChIKey
- KXKYPMWKQXTEEX-UHFFFAOYSA-N
- Compound name
- diheptoxy-sulfanyl-sulfanylidene-lambda5-phosphane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 327.15758 | 176.8 |
[M+Na]+ | 349.13952 | 180.3 |
[M-H]- | 325.14302 | 174.4 |
[M+NH4]+ | 344.18412 | 192.4 |
[M+K]+ | 365.11346 | 175.9 |
[M+H-H2O]+ | 309.14756 | 167.5 |
[M+HCOO]- | 371.14850 | 191.8 |
[M+CH3COO]- | 385.16415 | 209.8 |
[M+Na-2H]- | 347.12497 | 172.0 |
[M]+ | 326.14975 | 186.3 |
[M]- | 326.15085 | 186.3 |