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

1
Patents

260.0483 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.055576 157.1
[M+Na]+ 283.037518 165.2
[M-H]- 259.041024 161.5
[M+NH4]+ 278.082123 175.7
[M+K]+ 299.011458 161.0
[M+H-H2O]+ 243.045560 152.3
[M+HCOO]- 305.046501 173.3
[M+CH3COO]- 319.062151 201.7
[M+Na-2H]- 281.022966 159.9
[M]+ 260.04775142 161.4
[M]- 260.04884858 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