CID 4079789

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

Structural Information

Molecular Formula
C9H10Cl2N2O
SMILES
CCNC(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H10Cl2N2O/c1-2-12-9(14)13-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H2,12,13,14)
InChIKey
FTJWKYIMFVTWKY-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

232.01701 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.024286 148.1
[M+Na]+ 255.006228 156.9
[M-H]- 231.009734 151.4
[M+NH4]+ 250.050833 167.1
[M+K]+ 270.980168 151.7
[M+H-H2O]+ 215.014270 143.9
[M+HCOO]- 277.015211 164.4
[M+CH3COO]- 291.030861 192.4
[M+Na-2H]- 252.991676 152.7
[M]+ 232.01646142 150.3
[M]- 232.01755858 150.3
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