CID 84980

3-(3,4-dichlorophenyl)-1,1-diethylurea

Structural Information

Molecular Formula
C11H14Cl2N2O
SMILES
CCN(CC)C(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C11H14Cl2N2O/c1-3-15(4-2)11(16)14-8-5-6-9(12)10(13)7-8/h5-7H,3-4H2,1-2H3,(H,14,16)
InChIKey
XENORHLEQQVHAP-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-1,1-diethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

195
Patents

260.0483 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05558 155.9
[M+Na]+ 283.03752 168.4
[M+NH4]+ 278.08212 164.3
[M+K]+ 299.01146 161.1
[M-H]- 259.04102 158.9
[M+Na-2H]- 281.02297 162.3
[M]+ 260.04775 159.0
[M]- 260.04885 159.0
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

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