CID 9502

Linuron

Structural Information

Molecular Formula
C9H10Cl2N2O2
SMILES
CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC
InChI
InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
InChIKey
XKJMBINCVNINCA-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

318
References

45171
Patents

248.01193 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.01921 150.0
[M+Na]+ 271.00115 159.0
[M-H]- 247.00465 154.9
[M+NH4]+ 266.04575 169.1
[M+K]+ 286.97509 155.8
[M+H-H2O]+ 231.00919 145.5
[M+HCOO]- 293.01013 167.2
[M+CH3COO]- 307.02578 197.9
[M+Na-2H]- 268.98660 154.1
[M]+ 248.01138 155.1
[M]- 248.01248 155.1
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.