CID 10976790

3-(2-chloroacetyl)-1-phenylurea

Structural Information

Molecular Formula
C9H9ClN2O2
SMILES
C1=CC=C(C=C1)NC(=O)NC(=O)CCl
InChI
InChI=1S/C9H9ClN2O2/c10-6-8(13)12-9(14)11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12,13,14)
InChIKey
WYESSOGZWOBKGU-UHFFFAOYSA-N
Compound name
2-chloro-N-(phenylcarbamoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

212.03525 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04253 143.8
[M+Na]+ 235.02447 150.5
[M-H]- 211.02797 147.4
[M+NH4]+ 230.06907 162.6
[M+K]+ 250.99841 147.3
[M+H-H2O]+ 195.03251 138.3
[M+HCOO]- 257.03345 164.9
[M+CH3COO]- 271.04910 186.9
[M+Na-2H]- 233.00992 149.6
[M]+ 212.03470 144.3
[M]- 212.03580 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe