CID 4337253

N-(2,4-dichlorophenyl)-n'-methylurea

Structural Information

Molecular Formula
C8H8Cl2N2O
SMILES
CNC(=O)NC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-7-3-2-5(9)4-6(7)10/h2-4H,1H3,(H2,11,12,13)
InChIKey
USUCYXPXQRDEOJ-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

218.00137 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00865 143.4
[M+Na]+ 240.99059 152.7
[M-H]- 216.99409 146.9
[M+NH4]+ 236.03519 163.0
[M+K]+ 256.96453 147.8
[M+H-H2O]+ 200.99863 139.5
[M+HCOO]- 262.99957 160.1
[M+CH3COO]- 277.01522 189.5
[M+Na-2H]- 238.97604 148.6
[M]+ 218.00082 145.3
[M]- 218.00192 145.3
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