CID 90272

[4-(4-chlorophenoxy)phenyl]urea

Structural Information

Molecular Formula
C13H11ClN2O2
SMILES
C1=CC(=CC=C1NC(=O)N)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H11ClN2O2/c14-9-1-5-11(6-2-9)18-12-7-3-10(4-8-12)16-13(15)17/h1-8H,(H3,15,16,17)
InChIKey
UJNBRWHYYUWQMC-UHFFFAOYSA-N
Compound name
[4-(4-chlorophenoxy)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

262.0509 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.058176 156.2
[M+Na]+ 285.040118 164.2
[M-H]- 261.043624 162.7
[M+NH4]+ 280.084723 172.8
[M+K]+ 301.014058 159.3
[M+H-H2O]+ 245.048160 149.4
[M+HCOO]- 307.049101 177.5
[M+CH3COO]- 321.064751 197.8
[M+Na-2H]- 283.025566 161.3
[M]+ 262.05035142 157.1
[M]- 262.05144858 157.1
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

patents stripe