CID 270954

1-(4-chloro-2-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea

Structural Information

Molecular Formula
C13H9Cl3N2O2
SMILES
C1=CC(=C(C=C1NC(=O)NC2=C(C=C(C=C2)Cl)O)Cl)Cl
InChI
InChI=1S/C13H9Cl3N2O2/c14-7-1-4-11(12(19)5-7)18-13(20)17-8-2-3-9(15)10(16)6-8/h1-6,19H,(H2,17,18,20)
InChIKey
OKSXGOLSKDABPC-UHFFFAOYSA-N
Compound name
1-(4-chloro-2-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

329.97296 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.98024 168.1
[M+Na]+ 352.96218 177.8
[M-H]- 328.96568 172.4
[M+NH4]+ 348.00678 182.7
[M+K]+ 368.93612 170.7
[M+H-H2O]+ 312.97022 163.7
[M+HCOO]- 374.97116 178.0
[M+CH3COO]- 388.98681 207.1
[M+Na-2H]- 350.94763 170.5
[M]+ 329.97241 170.7
[M]- 329.97351 170.7
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.