CID 15050557
60388-39-8
Structural Information
- Molecular Formula
- C8H5F3N2S
- SMILES
- C1=CC(=C2C(=C1)N=C(S2)N)C(F)(F)F
- InChI
- InChI=1S/C8H5F3N2S/c9-8(10,11)4-2-1-3-5-6(4)14-7(12)13-5/h1-3H,(H2,12,13)
- InChIKey
- YMOKBGMXQWHOON-UHFFFAOYSA-N
- Compound name
- 7-(trifluoromethyl)-1,3-benzothiazol-2-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 219.01984 | 137.3 |
[M+Na]+ | 241.00178 | 149.8 |
[M-H]- | 217.00528 | 137.6 |
[M+NH4]+ | 236.04638 | 158.2 |
[M+K]+ | 256.97572 | 145.0 |
[M+H-H2O]+ | 201.00982 | 129.5 |
[M+HCOO]- | 263.01076 | 153.7 |
[M+CH3COO]- | 277.02641 | 186.2 |
[M+Na-2H]- | 238.98723 | 141.7 |
[M]+ | 218.01201 | 136.2 |
[M]- | 218.01311 | 136.2 |