CID 68905

Lotifazole

Structural Information

Molecular Formula
C12H9Cl3N2O2S
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)OCC(Cl)(Cl)Cl
InChI
InChI=1S/C12H9Cl3N2O2S/c13-12(14,15)7-19-11(18)17-10-16-9(6-20-10)8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17,18)
InChIKey
SMQXDOVGKKMUIZ-UHFFFAOYSA-N
Compound name
2,2,2-trichloroethyl N-(4-phenyl-1,3-thiazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

758
Patents

349.94504 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.95232 174.4
[M+Na]+ 372.93426 183.2
[M-H]- 348.93776 179.0
[M+NH4]+ 367.97886 189.7
[M+K]+ 388.90820 177.2
[M+H-H2O]+ 332.94230 169.1
[M+HCOO]- 394.94324 177.8
[M+CH3COO]- 408.95889 203.7
[M+Na-2H]- 370.91971 175.2
[M]+ 349.94449 179.8
[M]- 349.94559 179.8
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