CID 727788

N-(3-chloro-4-methylphenyl)-n'-(4-chlorophenyl)urea

Structural Information

Molecular Formula
C14H12Cl2N2O
SMILES
CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H12Cl2N2O/c1-9-2-5-12(8-13(9)16)18-14(19)17-11-6-3-10(15)4-7-11/h2-8H,1H3,(H2,17,18,19)
InChIKey
XULHYDFFHVARJN-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methylphenyl)-3-(4-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

294.03265 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.03993 164.6
[M+Na]+ 317.02187 173.6
[M-H]- 293.02537 170.9
[M+NH4]+ 312.06647 181.0
[M+K]+ 332.99581 166.9
[M+H-H2O]+ 277.02991 158.7
[M+HCOO]- 339.03085 180.7
[M+CH3COO]- 353.04650 204.1
[M+Na-2H]- 315.00732 168.5
[M]+ 294.03210 167.0
[M]- 294.03320 167.0
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