CID 50999485
1261566-57-7
Structural Information
- Molecular Formula
- C7H6BrClO2S
- SMILES
- CC1=C(C(=CC=C1)S(=O)(=O)Cl)Br
- InChI
- InChI=1S/C7H6BrClO2S/c1-5-3-2-4-6(7(5)8)12(9,10)11/h2-4H,1H3
- InChIKey
- PIFIURZNLONQND-UHFFFAOYSA-N
- Compound name
- 2-bromo-3-methylbenzenesulfonyl chloride
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 268.90331 | 134.3 |
[M+Na]+ | 290.88525 | 149.6 |
[M-H]- | 266.88875 | 142.1 |
[M+NH4]+ | 285.92985 | 156.7 |
[M+K]+ | 306.85919 | 136.4 |
[M+H-H2O]+ | 250.89329 | 136.6 |
[M+HCOO]- | 312.89423 | 147.2 |
[M+CH3COO]- | 326.90988 | 188.1 |
[M+Na-2H]- | 288.87070 | 141.3 |
[M]+ | 267.89548 | 157.7 |
[M]- | 267.89658 | 157.7 |
Literature stripe
No literature data available for this compound.