CID 989141

1-(2,5-dichlorophenyl)-3-(3,4-dichlorophenyl)urea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

347.9391 Da
Monoisotopic Mass

4.8
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

No literature data available for this compound.

Patent stripe

patents stripe