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

42431
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

literature stripe

Patent stripe

patents stripe