CID 3017405

Qw20ucm5dy

Structural Information

Molecular Formula
C13H9Cl3N2O2
SMILES
C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2O)Cl)Cl)Cl
InChI
InChI=1S/C13H9Cl3N2O2/c14-7-1-3-8(4-2-7)17-13(20)18-11-5-9(15)10(16)6-12(11)19/h1-6,19H,(H2,17,18,20)
InChIKey
JBDVVPPOIJMSRH-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(4,5-dichloro-2-hydroxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

329.97296 Da
Monoisotopic Mass

4.0
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

literature stripe

Patent stripe

patents stripe