CID 12859854
1-(5-nitro-2-furyl)-2-(phenylsulfonyl)ethanone
Structural Information
- Molecular Formula
- C12H9NO6S
- SMILES
- C1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC=C(O2)[N+](=O)[O-]
- InChI
- InChI=1S/C12H9NO6S/c14-10(11-6-7-12(19-11)13(15)16)8-20(17,18)9-4-2-1-3-5-9/h1-7H,8H2
- InChIKey
- FULRUFPWLALPFG-UHFFFAOYSA-N
- Compound name
- 2-(benzenesulfonyl)-1-(5-nitrofuran-2-yl)ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 296.02233 | 162.9 |
[M+Na]+ | 318.00427 | 169.8 |
[M-H]- | 294.00777 | 171.1 |
[M+NH4]+ | 313.04887 | 177.6 |
[M+K]+ | 333.97821 | 164.2 |
[M+H-H2O]+ | 278.01231 | 161.1 |
[M+HCOO]- | 340.01325 | 182.6 |
[M+CH3COO]- | 354.02890 | 188.9 |
[M+Na-2H]- | 315.98972 | 169.0 |
[M]+ | 295.01450 | 165.7 |
[M]- | 295.01560 | 165.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.