CID 212843
Brn 0997269
Structural Information
- Molecular Formula
- C12H14NO4P
- SMILES
- CC1=C(CP(=O)(C1)OC2=CC=C(C=C2)[N+](=O)[O-])C
- InChI
- InChI=1S/C12H14NO4P/c1-9-7-18(16,8-10(9)2)17-12-5-3-11(4-6-12)13(14)15/h3-6H,7-8H2,1-2H3
- InChIKey
- YWIXYMZRAFRMKF-UHFFFAOYSA-N
- Compound name
- 3,4-dimethyl-1-(4-nitrophenoxy)-2,5-dihydro-1lambda5-phosphole 1-oxide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 268.07332 | 154.8 |
[M+Na]+ | 290.05526 | 162.7 |
[M-H]- | 266.05876 | 161.4 |
[M+NH4]+ | 285.09986 | 174.9 |
[M+K]+ | 306.02920 | 156.8 |
[M+H-H2O]+ | 250.06330 | 151.5 |
[M+HCOO]- | 312.06424 | 185.9 |
[M+CH3COO]- | 326.07989 | 190.6 |
[M+Na-2H]- | 288.04071 | 158.5 |
[M]+ | 267.06549 | 156.1 |
[M]- | 267.06659 | 156.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.