CID 3076401
3-ethyl-2-imino-6-trifluoromethoxybenzothiazoline hydrochloride
Structural Information
- Molecular Formula
- C10H9F3N2OS
- SMILES
- CCN1C2=C(C=C(C=C2)OC(F)(F)F)SC1=N
- InChI
- InChI=1S/C10H9F3N2OS/c1-2-15-7-4-3-6(16-10(11,12)13)5-8(7)17-9(15)14/h3-5,14H,2H2,1H3
- InChIKey
- NKYBQBAWYVRYCZ-UHFFFAOYSA-N
- Compound name
- 3-ethyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 263.04604 | 149.7 |
[M+Na]+ | 285.02798 | 162.0 |
[M-H]- | 261.03148 | 150.4 |
[M+NH4]+ | 280.07258 | 169.1 |
[M+K]+ | 301.00192 | 157.1 |
[M+H-H2O]+ | 245.03602 | 141.5 |
[M+HCOO]- | 307.03696 | 166.2 |
[M+CH3COO]- | 321.05261 | 195.2 |
[M+Na-2H]- | 283.01343 | 153.4 |
[M]+ | 262.03821 | 151.2 |
[M]- | 262.03931 | 151.2 |