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

compound 2d structure
1
Annotation Hits

1
References

5
Patents

262.03876 Da
Monoisotopic Mass

3.5
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe