CID 302958

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

Structural Information

Molecular Formula
C13H8Cl4N2O
SMILES
C1=CC(=C(C=C1Cl)Cl)NC(=O)NC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H8Cl4N2O/c14-7-1-3-11(9(16)5-7)18-13(20)19-12-4-2-8(15)6-10(12)17/h1-6H,(H2,18,19,20)
InChIKey
SSKKWBCOWZDNRK-UHFFFAOYSA-N
Compound name
1,3-bis(2,4-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 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