CID 153541985
2412761-99-8
Structural Information
- Molecular Formula
- C16H20F2N2O3S
- SMILES
- COC1=C(C=C(C=N1)NS(=O)(=O)C=C)/C=C/C2CCC(CC2)(F)F
- InChI
- InChI=1S/C16H20F2N2O3S/c1-3-24(21,22)20-14-10-13(15(23-2)19-11-14)5-4-12-6-8-16(17,18)9-7-12/h3-5,10-12,20H,1,6-9H2,2H3/b5-4+
- InChIKey
- XWUDDEWKGTZJNH-SNAWJCMRSA-N
- Compound name
- N-[5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-6-methoxypyridin-3-yl]ethenesulfonamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 359.12355 | 178.6 |
[M+Na]+ | 381.10549 | 185.3 |
[M-H]- | 357.10899 | 180.5 |
[M+NH4]+ | 376.15009 | 192.0 |
[M+K]+ | 397.07943 | 179.7 |
[M+H-H2O]+ | 341.11353 | 169.5 |
[M+HCOO]- | 403.11447 | 190.2 |
[M+CH3COO]- | 417.13012 | 211.5 |
[M+Na-2H]- | 379.09094 | 180.0 |
[M]+ | 358.11572 | 176.5 |
[M]- | 358.11682 | 176.5 |
Literature stripe
No literature data available for this compound.