CID 881405

N-[(2,5-dichlorophenyl)carbamothioyl]benzamide

Structural Information

Molecular Formula
C14H10Cl2N2OS
SMILES
C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C14H10Cl2N2OS/c15-10-6-7-11(16)12(8-10)17-14(20)18-13(19)9-4-2-1-3-5-9/h1-8H,(H2,17,18,19,20)
InChIKey
DEWHSBUUMWHCGU-UHFFFAOYSA-N
Compound name
N-[(2,5-dichlorophenyl)carbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.98907 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.99635 168.4
[M+Na]+ 346.97829 176.5
[M-H]- 322.98179 174.9
[M+NH4]+ 342.02289 183.9
[M+K]+ 362.95223 169.0
[M+H-H2O]+ 306.98633 163.0
[M+HCOO]- 368.98727 178.7
[M+CH3COO]- 383.00292 205.9
[M+Na-2H]- 344.96374 169.8
[M]+ 323.98852 171.2
[M]- 323.98962 171.2
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

No patent data available for this compound.