CID 702451

41542-10-3

Structural Information

Molecular Formula
C14H10Cl2N2OS
SMILES
C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C14H10Cl2N2OS/c15-10-7-4-8-11(16)12(10)17-14(20)18-13(19)9-5-2-1-3-6-9/h1-8H,(H2,17,18,19,20)
InChIKey
VNMIXZLSPNJOGL-UHFFFAOYSA-N
Compound name
N-[(2,6-dichlorophenyl)carbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
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 171.2
[M+Na]+ 346.97829 184.9
[M+NH4]+ 342.02289 179.9
[M+K]+ 362.95223 174.6
[M-H]- 322.98179 176.3
[M+Na-2H]- 344.96374 179.5
[M]+ 323.98852 175.6
[M]- 323.98962 175.6
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