CID 3058866
Brn 4478995
Structural Information
- Molecular Formula
- C12H9NO4S
- SMILES
- COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)C#N
- InChI
- InChI=1S/C12H9NO4S/c1-16-9-2-5-11(6-3-9)18(14,15)12-7-4-10(8-13)17-12/h2-7H,1H3
- InChIKey
- RNXZEIGKTDHLOB-UHFFFAOYSA-N
- Compound name
- 5-(4-methoxyphenyl)sulfonylfuran-2-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 264.03252 | 164.6 |
[M+Na]+ | 286.01446 | 177.2 |
[M-H]- | 262.01796 | 172.2 |
[M+NH4]+ | 281.05906 | 180.7 |
[M+K]+ | 301.98840 | 174.3 |
[M+H-H2O]+ | 246.02250 | 152.1 |
[M+HCOO]- | 308.02344 | 180.7 |
[M+CH3COO]- | 322.03909 | 201.5 |
[M+Na-2H]- | 283.99991 | 167.7 |
[M]+ | 263.02469 | 165.4 |
[M]- | 263.02579 | 165.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.