CID 3039450
Brn 1994675
Structural Information
- Molecular Formula
- C10H14NO5PS
- SMILES
- CC1=CC(=CC(=C1[N+](=O)[O-])C)OP(=S)(OC)OC
- InChI
- InChI=1S/C10H14NO5PS/c1-7-5-9(16-17(18,14-3)15-4)6-8(2)10(7)11(12)13/h5-6H,1-4H3
- InChIKey
- SEWMINUMBBPFPX-UHFFFAOYSA-N
- Compound name
- (3,5-dimethyl-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 292.04030 | 157.8 |
[M+Na]+ | 314.02224 | 165.2 |
[M-H]- | 290.02574 | 161.3 |
[M+NH4]+ | 309.06684 | 174.0 |
[M+K]+ | 329.99618 | 159.7 |
[M+H-H2O]+ | 274.03028 | 153.8 |
[M+HCOO]- | 336.03122 | 182.5 |
[M+CH3COO]- | 350.04687 | 195.2 |
[M+Na-2H]- | 312.00769 | 161.0 |
[M]+ | 291.03247 | 163.5 |
[M]- | 291.03357 | 163.5 |
Literature stripe
Patent stripe
No patent data available for this compound.