CID 5048921

3-(2,4-dichlorophenyl)-1,1-diethylurea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

260.0483 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05558 157.1
[M+Na]+ 283.03752 165.2
[M-H]- 259.04102 161.5
[M+NH4]+ 278.08212 175.7
[M+K]+ 299.01146 161.0
[M+H-H2O]+ 243.04556 152.3
[M+HCOO]- 305.04650 173.3
[M+CH3COO]- 319.06215 201.7
[M+Na-2H]- 281.02297 159.9
[M]+ 260.04775 161.4
[M]- 260.04885 161.4
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