CID 183906

1,3-bis(3-chloro-4-methylphenyl)urea

Structural Information

Molecular Formula
C15H14Cl2N2O
SMILES
CC1=C(C=C(C=C1)NC(=O)NC2=CC(=C(C=C2)C)Cl)Cl
InChI
InChI=1S/C15H14Cl2N2O/c1-9-3-5-11(7-13(9)16)18-15(20)19-12-6-4-10(2)14(17)8-12/h3-8H,1-2H3,(H2,18,19,20)
InChIKey
BDKXYSKISJGPRL-UHFFFAOYSA-N
Compound name
1,3-bis(3-chloro-4-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

308.0483 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.05558 169.3
[M+Na]+ 331.03752 178.8
[M-H]- 307.04102 175.8
[M+NH4]+ 326.08212 185.5
[M+K]+ 347.01146 172.0
[M+H-H2O]+ 291.04556 163.5
[M+HCOO]- 353.04650 185.1
[M+CH3COO]- 367.06215 208.3
[M+Na-2H]- 329.02297 171.9
[M]+ 308.04775 172.5
[M]- 308.04885 172.5
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