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

3
Patents

232.01701 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02429 148.1
[M+Na]+ 255.00623 156.9
[M-H]- 231.00973 151.4
[M+NH4]+ 250.05083 167.1
[M+K]+ 270.98017 151.7
[M+H-H2O]+ 215.01427 143.9
[M+HCOO]- 277.01521 164.4
[M+CH3COO]- 291.03086 192.4
[M+Na-2H]- 252.99168 152.7
[M]+ 232.01646 150.3
[M]- 232.01756 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