CID 786649

13142-49-9

Structural Information

Molecular Formula
C12H9Cl2N3O
SMILES
C1=CC=NC(=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H9Cl2N3O/c13-9-5-4-8(7-10(9)14)16-12(18)17-11-3-1-2-6-15-11/h1-7H,(H2,15,16,17,18)
InChIKey
AYESWZOXRIYADI-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-pyridin-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7
Patents

281.01227 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.01955 158.7
[M+Na]+ 304.00149 167.5
[M-H]- 280.00499 163.5
[M+NH4]+ 299.04609 174.0
[M+K]+ 319.97543 161.2
[M+H-H2O]+ 264.00953 151.8
[M+HCOO]- 326.01047 174.2
[M+CH3COO]- 340.02612 199.7
[M+Na-2H]- 301.98694 164.7
[M]+ 281.01172 160.4
[M]- 281.01282 160.4
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