CID 120577
Bayer 61035
Structural Information
- Molecular Formula
- C13H20NO5PS2
- SMILES
- CCCSC1=C(C=CC(=C1)OP(=S)(OCC)OCC)[N+](=O)[O-]
- InChI
- InChI=1S/C13H20NO5PS2/c1-4-9-22-13-10-11(7-8-12(13)14(15)16)19-20(21,17-5-2)18-6-3/h7-8,10H,4-6,9H2,1-3H3
- InChIKey
- ZKSGWWDZVNFNNT-UHFFFAOYSA-N
- Compound name
- diethoxy-(4-nitro-3-propylsulfanylphenoxy)-sulfanylidene-lambda5-phosphane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 366.05934 | 175.6 |
[M+Na]+ | 388.04128 | 179.9 |
[M-H]- | 364.04478 | 177.5 |
[M+NH4]+ | 383.08588 | 188.3 |
[M+K]+ | 404.01522 | 172.0 |
[M+H-H2O]+ | 348.04932 | 170.0 |
[M+HCOO]- | 410.05026 | 193.8 |
[M+CH3COO]- | 424.06591 | 207.4 |
[M+Na-2H]- | 386.02673 | 176.7 |
[M]+ | 365.05151 | 181.5 |
[M]- | 365.05261 | 181.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.