CID 54208

(4-phenoxyphenyl)urea

Structural Information

Molecular Formula
C13H12N2O2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)N
InChI
InChI=1S/C13H12N2O2/c14-13(16)15-10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h1-9H,(H3,14,15,16)
InChIKey
ABBMQADJUMXTAJ-UHFFFAOYSA-N
Compound name
(4-phenoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

228.08987 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 149.0
[M+Na]+ 251.07909 155.2
[M-H]- 227.08259 155.3
[M+NH4]+ 246.12369 165.7
[M+K]+ 267.05303 152.1
[M+H-H2O]+ 211.08713 141.1
[M+HCOO]- 273.08807 174.8
[M+CH3COO]- 287.10372 192.9
[M+Na-2H]- 249.06454 155.4
[M]+ 228.08932 147.1
[M]- 228.09042 147.1
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