CID 52006
73664-00-3
Structural Information
- Molecular Formula
- C11H17ClNO2S
- SMILES
- C[N+](C)(C)CCS(=O)(=O)C1=CC=C(C=C1)Cl
- InChI
- InChI=1S/C11H17ClNO2S/c1-13(2,3)8-9-16(14,15)11-6-4-10(12)5-7-11/h4-7H,8-9H2,1-3H3/q+1
- InChIKey
- BSUBAMCFVQUAPJ-UHFFFAOYSA-N
- Compound name
- 2-(4-chlorophenyl)sulfonylethyl-trimethylazanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 263.07414 | 152.2 |
[M+Na]+ | 285.05608 | 160.7 |
[M-H]- | 261.05958 | 157.9 |
[M+NH4]+ | 280.10068 | 170.9 |
[M+K]+ | 301.03002 | 151.4 |
[M+H-H2O]+ | 245.06412 | 150.1 |
[M+HCOO]- | 307.06506 | 166.0 |
[M+CH3COO]- | 321.08071 | 189.7 |
[M+Na-2H]- | 283.04153 | 160.0 |
[M]+ | 262.06631 | 156.7 |
[M]- | 262.06741 | 156.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.