CID 125495733
36247-07-1
Structural Information
- Molecular Formula
- C13H8BrNS
- SMILES
- C1=CC=C(C=C1)C2=NC3=C(S2)C(=CC=C3)Br
- InChI
- InChI=1S/C13H8BrNS/c14-10-7-4-8-11-12(10)16-13(15-11)9-5-2-1-3-6-9/h1-8H
- InChIKey
- SZANSBAGZIPOGX-UHFFFAOYSA-N
- Compound name
- 7-bromo-2-phenyl-1,3-benzothiazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 289.96338 | 147.8 |
[M+Na]+ | 311.94532 | 163.3 |
[M-H]- | 287.94882 | 158.2 |
[M+NH4]+ | 306.98992 | 170.1 |
[M+K]+ | 327.91926 | 150.7 |
[M+H-H2O]+ | 271.95336 | 148.6 |
[M+HCOO]- | 333.95430 | 166.7 |
[M+CH3COO]- | 347.96995 | 164.2 |
[M+Na-2H]- | 309.93077 | 155.0 |
[M]+ | 288.95555 | 170.2 |
[M]- | 288.95665 | 170.2 |
Literature stripe
No literature data available for this compound.