CID 143929

1-(2-chlorophenyl)-3-ethylurea

Structural Information

Molecular Formula
C9H11ClN2O
SMILES
CCNC(=O)NC1=CC=CC=C1Cl
InChI
InChI=1S/C9H11ClN2O/c1-2-11-9(13)12-8-6-4-3-5-7(8)10/h3-6H,2H2,1H3,(H2,11,12,13)
InChIKey
ALRCNDQTWIMINP-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-3-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

198.05598 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.063256 141.6
[M+Na]+ 221.045198 149.2
[M-H]- 197.048704 145.3
[M+NH4]+ 216.089803 161.4
[M+K]+ 237.019138 145.5
[M+H-H2O]+ 181.053240 136.3
[M+HCOO]- 243.054181 163.1
[M+CH3COO]- 257.069831 186.7
[M+Na-2H]- 219.030646 147.8
[M]+ 198.05543142 142.4
[M]- 198.05652858 142.4
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