CID 242620
2-(1,3-benzothiazol-2-yl)benzoic acid
Structural Information
- Molecular Formula
- C14H9NO2S
- SMILES
- C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)O
- InChI
- InChI=1S/C14H9NO2S/c16-14(17)10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)18-13/h1-8H,(H,16,17)
- InChIKey
- IUHKJRBEJIXPHA-UHFFFAOYSA-N
- Compound name
- 2-(1,3-benzothiazol-2-yl)benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 256.04268 | 153.8 |
[M+Na]+ | 278.02462 | 164.8 |
[M-H]- | 254.02812 | 160.2 |
[M+NH4]+ | 273.06922 | 172.4 |
[M+K]+ | 293.99856 | 159.5 |
[M+H-H2O]+ | 238.03266 | 147.4 |
[M+HCOO]- | 300.03360 | 172.2 |
[M+CH3COO]- | 314.04925 | 167.1 |
[M+Na-2H]- | 276.01007 | 157.6 |
[M]+ | 255.03485 | 157.5 |
[M]- | 255.03595 | 157.5 |