CID 45051161

N-(3-chloro-4-methylphenyl)-n'-(3,5-dichlorophenyl)urea

Structural Information

Molecular Formula
C14H11Cl3N2O
SMILES
CC1=C(C=C(C=C1)NC(=O)NC2=CC(=CC(=C2)Cl)Cl)Cl
InChI
InChI=1S/C14H11Cl3N2O/c1-8-2-3-11(7-13(8)17)18-14(20)19-12-5-9(15)4-10(16)6-12/h2-7H,1H3,(H2,18,19,20)
InChIKey
JEBMJBDJYUYYIC-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.99368 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.00096 170.9
[M+Na]+ 350.98290 180.7
[M-H]- 326.98640 176.2
[M+NH4]+ 346.02750 186.3
[M+K]+ 366.95684 173.5
[M+H-H2O]+ 310.99094 165.9
[M+HCOO]- 372.99188 181.5
[M+CH3COO]- 387.00753 210.1
[M+Na-2H]- 348.96835 173.0
[M]+ 327.99313 174.1
[M]- 327.99423 174.1
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

No patent data available for this compound.