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
1
Annotation Hits

0
References

6
Patents

262.0509 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05818 156.2
[M+Na]+ 285.04012 164.2
[M-H]- 261.04362 162.7
[M+NH4]+ 280.08472 172.8
[M+K]+ 301.01406 159.3
[M+H-H2O]+ 245.04816 149.4
[M+HCOO]- 307.04910 177.5
[M+CH3COO]- 321.06475 197.8
[M+Na-2H]- 283.02557 161.3
[M]+ 262.05035 157.1
[M]- 262.05145 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