CID 40488780

N-(3-chlorophenyl)-n'-(2-mercaptophenyl)urea

Structural Information

Molecular Formula
C13H11ClN2OS
SMILES
C1=CC=C(C(=C1)NC(=O)NC2=CC(=CC=C2)Cl)S
InChI
InChI=1S/C13H11ClN2OS/c14-9-4-3-5-10(8-9)15-13(17)16-11-6-1-2-7-12(11)18/h1-8,18H,(H2,15,16,17)
InChIKey
HJOAIGMRVCHAFC-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(2-sulfanylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.02808 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.03536 159.8
[M+Na]+ 301.01730 173.6
[M+NH4]+ 296.06190 169.2
[M+K]+ 316.99124 163.6
[M-H]- 277.02080 165.7
[M+Na-2H]- 299.00275 169.2
[M]+ 278.02753 164.3
[M]- 278.02863 164.3
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.