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 158.8
[M+Na]+ 301.01730 167.0
[M-H]- 277.02080 165.9
[M+NH4]+ 296.06190 175.8
[M+K]+ 316.99124 160.9
[M+H-H2O]+ 261.02534 152.4
[M+HCOO]- 323.02628 175.2
[M+CH3COO]- 337.04193 199.3
[M+Na-2H]- 299.00275 162.4
[M]+ 278.02753 161.2
[M]- 278.02863 161.2
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.