CID 4109612

1-(3-chlorophenyl)-3-(4-nitrophenyl)urea

Structural Information

Molecular Formula
C13H10ClN3O3
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H10ClN3O3/c14-9-2-1-3-11(8-9)16-13(18)15-10-4-6-12(7-5-10)17(19)20/h1-8H,(H2,15,16,18)
InChIKey
DFNZMXHDIVNGEJ-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(4-nitrophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.04108 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.04836 161.2
[M+Na]+ 314.03030 175.1
[M+NH4]+ 309.07490 169.1
[M+K]+ 330.00424 170.6
[M-H]- 290.03380 167.4
[M+Na-2H]- 312.01575 170.0
[M]+ 291.04053 165.0
[M]- 291.04163 165.0
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

No patent data available for this compound.