CID 5102246
3-[(4-chlorophenyl)sulfonyl]-1-(4-methoxyphenyl)-1-propanone
Structural Information
- Molecular Formula
- C16H15ClO4S
- SMILES
- COC1=CC=C(C=C1)C(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl
- InChI
- InChI=1S/C16H15ClO4S/c1-21-14-6-2-12(3-7-14)16(18)10-11-22(19,20)15-8-4-13(17)5-9-15/h2-9H,10-11H2,1H3
- InChIKey
- IXKIKQVOKDCDAN-UHFFFAOYSA-N
- Compound name
- 3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)propan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 339.04524 | 172.8 |
[M+Na]+ | 361.02718 | 181.6 |
[M-H]- | 337.03068 | 180.0 |
[M+NH4]+ | 356.07178 | 187.7 |
[M+K]+ | 377.00112 | 176.2 |
[M+H-H2O]+ | 321.03522 | 166.4 |
[M+HCOO]- | 383.03616 | 185.7 |
[M+CH3COO]- | 397.05181 | 204.7 |
[M+Na-2H]- | 359.01263 | 175.1 |
[M]+ | 338.03741 | 180.2 |
[M]- | 338.03851 | 180.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.