CID 66545184

1353878-23-5

Structural Information

Molecular Formula
C14H9ClF3N3OS
SMILES
C1=CC(=CC=C1C(=O)NC(=S)NC2=NC=C(C=C2)C(F)(F)F)Cl
InChI
InChI=1S/C14H9ClF3N3OS/c15-10-4-1-8(2-5-10)12(22)21-13(23)20-11-6-3-9(7-19-11)14(16,17)18/h1-7H,(H2,19,20,21,22,23)
InChIKey
PUCLMEDXRLOLNS-UHFFFAOYSA-N
Compound name
4-chloro-N-[[5-(trifluoromethyl)pyridin-2-yl]carbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.01068 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.01796 171.0
[M+Na]+ 381.99990 179.6
[M+NH4]+ 377.04450 175.7
[M+K]+ 397.97384 172.9
[M-H]- 358.00340 169.9
[M+Na-2H]- 379.98535 176.5
[M]+ 359.01013 172.1
[M]- 359.01123 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.