CID 95783

1,3-bis(3,4-dichlorophenyl)urea

Structural Information

Molecular Formula
C13H8Cl4N2O
SMILES
C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl)Cl
InChI
InChI=1S/C13H8Cl4N2O/c14-9-3-1-7(5-11(9)16)18-13(20)19-8-2-4-10(15)12(17)6-8/h1-6H,(H2,18,19,20)
InChIKey
ZDPIZPXVHVYTOK-UHFFFAOYSA-N
Compound name
1,3-bis(3,4-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

78
Patents

347.9391 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.94638 175.6
[M+Na]+ 370.92832 190.7
[M+NH4]+ 365.97292 183.8
[M+K]+ 386.90226 181.3
[M-H]- 346.93182 179.8
[M+Na-2H]- 368.91377 183.4
[M]+ 347.93855 180.1
[M]- 347.93965 180.1
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