CID 71433172
1379309-82-6
Structural Information
- Molecular Formula
- C8H6BrNO2S
- SMILES
- CS(=O)(=O)C1=C(C=C(C=C1)Br)C#N
- InChI
- InChI=1S/C8H6BrNO2S/c1-13(11,12)8-3-2-7(9)4-6(8)5-10/h2-4H,1H3
- InChIKey
- JMWPOMUBCLADSB-UHFFFAOYSA-N
- Compound name
- 5-bromo-2-methylsulfonylbenzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 259.93755 | 132.6 |
[M+Na]+ | 281.91949 | 136.4 |
[M+NH4]+ | 276.96409 | 134.7 |
[M+K]+ | 297.89343 | 133.2 |
[M-H]- | 257.92299 | 126.6 |
[M+Na-2H]- | 279.90494 | 134.6 |
[M]+ | 258.92972 | 130.1 |
[M]- | 258.93082 | 130.1 |
Literature stripe
No literature data available for this compound.