CID 19959947
70399-02-9
Structural Information
- Molecular Formula
- C9H11BrO2S
- SMILES
- CC(C)S(=O)(=O)C1=CC=C(C=C1)Br
- InChI
- InChI=1S/C9H11BrO2S/c1-7(2)13(11,12)9-5-3-8(10)4-6-9/h3-7H,1-2H3
- InChIKey
- WQZTWNHNXOSAAR-UHFFFAOYSA-N
- Compound name
- 1-bromo-4-propan-2-ylsulfonylbenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 262.97358 | 135.0 |
[M+Na]+ | 284.95552 | 137.9 |
[M+NH4]+ | 280.00012 | 139.9 |
[M+K]+ | 300.92946 | 137.8 |
[M-H]- | 260.95902 | 134.9 |
[M+Na-2H]- | 282.94097 | 138.7 |
[M]+ | 261.96575 | 134.7 |
[M]- | 261.96685 | 134.7 |
Literature stripe
No literature data available for this compound.