CID 94996

1,3-bis(4-chlorophenyl)urea

Structural Information

Molecular Formula
C13H10Cl2N2O
SMILES
C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H10Cl2N2O/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)
InChIKey
ZNQCSLYENQIUMJ-UHFFFAOYSA-N
Compound name
1,3-bis(4-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

209
Patents

280.01703 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.024306 159.7
[M+Na]+ 303.006248 168.3
[M-H]- 279.009754 165.9
[M+NH4]+ 298.050853 176.5
[M+K]+ 318.980188 161.8
[M+H-H2O]+ 263.014290 153.9
[M+HCOO]- 325.015231 176.3
[M+CH3COO]- 339.030881 200.0
[M+Na-2H]- 300.991696 165.0
[M]+ 280.01648142 161.5
[M]- 280.01757858 161.5
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