CID 16094251
134646-03-0
Structural Information
- Molecular Formula
- C7H6Br2S
- SMILES
- CSC1=C(C=CC(=C1)Br)Br
- InChI
- InChI=1S/C7H6Br2S/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3
- InChIKey
- FJWOCBXOKSWZPN-UHFFFAOYSA-N
- Compound name
- 1,4-dibromo-2-methylsulfanylbenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 280.86298 | 121.8 |
[M+Na]+ | 302.84492 | 134.8 |
[M-H]- | 278.84842 | 129.6 |
[M+NH4]+ | 297.88952 | 142.8 |
[M+K]+ | 318.81886 | 118.8 |
[M+H-H2O]+ | 262.85296 | 131.0 |
[M+HCOO]- | 324.85390 | 135.3 |
[M+CH3COO]- | 338.86955 | 200.1 |
[M+Na-2H]- | 300.83037 | 129.1 |
[M]+ | 279.85515 | 157.6 |
[M]- | 279.85625 | 157.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.