CID 302975

3-(2,5-dichlorophenyl)-1,1-diethylurea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

patents stripe