CID 5353431
(2e)-3-[(4-methylphenyl)sulfonyl]-2-propenenitrile
Structural Information
- Molecular Formula
- C10H9NO2S
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)/C=C/C#N
- InChI
- InChI=1S/C10H9NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,1H3/b8-2+
- InChIKey
- DOEWDSDBFRHVAP-KRXBUXKQSA-N
- Compound name
- (E)-3-(4-methylphenyl)sulfonylprop-2-enenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 208.04268 | 151.9 |
[M+Na]+ | 230.02462 | 163.2 |
[M-H]- | 206.02812 | 156.3 |
[M+NH4]+ | 225.06922 | 169.8 |
[M+K]+ | 245.99856 | 159.3 |
[M+H-H2O]+ | 190.03266 | 140.1 |
[M+HCOO]- | 252.03360 | 167.0 |
[M+CH3COO]- | 266.04925 | 193.8 |
[M+Na-2H]- | 228.01007 | 155.3 |
[M]+ | 207.03485 | 149.5 |
[M]- | 207.03595 | 149.5 |