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

79
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 172.8
[M+Na]+ 370.92832 182.3
[M-H]- 346.93182 176.2
[M+NH4]+ 365.97292 186.9
[M+K]+ 386.90226 175.3
[M+H-H2O]+ 330.93636 168.5
[M+HCOO]- 392.93730 178.0
[M+CH3COO]- 406.95295 212.4
[M+Na-2H]- 368.91377 173.9
[M]+ 347.93855 175.0
[M]- 347.93965 175.0
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

patents stripe