CID 3076405

3-allyl-2-imino-6-trifluoromethoxybenzothiazoline hydrobromide

Structural Information

Molecular Formula
C11H9F3N2OS
SMILES
C=CCN1C2=C(C=C(C=C2)OC(F)(F)F)SC1=N
InChI
InChI=1S/C11H9F3N2OS/c1-2-5-16-8-4-3-7(17-11(12,13)14)6-9(8)18-10(16)15/h2-4,6,15H,1,5H2
InChIKey
ZVPTUUGZESNLEU-UHFFFAOYSA-N
Compound name
3-prop-2-enyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

274.03876 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04604 158.5
[M+Na]+ 297.02798 167.4
[M+NH4]+ 292.07258 163.9
[M+K]+ 313.00192 161.6
[M-H]- 273.03148 155.5
[M+Na-2H]- 295.01343 161.3
[M]+ 274.03821 159.0
[M]- 274.03931 159.0
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