CID 16227163

3-(2-chloropropanoyl)-1-phenylurea

Structural Information

Molecular Formula
C10H11ClN2O2
SMILES
CC(C(=O)NC(=O)NC1=CC=CC=C1)Cl
InChI
InChI=1S/C10H11ClN2O2/c1-7(11)9(14)13-10(15)12-8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,14,15)
InChIKey
RJRZEHLMIFTDDK-UHFFFAOYSA-N
Compound name
2-chloro-N-(phenylcarbamoyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0509 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.058176 148.7
[M+Na]+ 249.040118 154.7
[M-H]- 225.043624 152.2
[M+NH4]+ 244.084723 166.8
[M+K]+ 265.014058 151.8
[M+H-H2O]+ 209.048160 143.1
[M+HCOO]- 271.049101 168.4
[M+CH3COO]- 285.064751 190.9
[M+Na-2H]- 247.025566 152.7
[M]+ 226.05035142 149.0
[M]- 226.05144858 149.0
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

No patent data available for this compound.