CID 3120

Diuron

Structural Information

Molecular Formula
C9H10Cl2N2O
SMILES
CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
InChIKey
XMTQQYYKAHVGBJ-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1944
References

78332
Patents

232.01701 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02429 147.7
[M+Na]+ 255.00623 156.7
[M-H]- 231.00973 152.5
[M+NH4]+ 250.05083 167.4
[M+K]+ 270.98017 152.9
[M+H-H2O]+ 215.01427 143.3
[M+HCOO]- 277.01521 164.6
[M+CH3COO]- 291.03086 195.8
[M+Na-2H]- 252.99168 151.7
[M]+ 232.01646 151.3
[M]- 232.01756 151.3
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