CID 52908206

[4-(2-chloroacetyl)phenyl]urea

Structural Information

Molecular Formula
C9H9ClN2O2
SMILES
C1=CC(=CC=C1C(=O)CCl)NC(=O)N
InChI
InChI=1S/C9H9ClN2O2/c10-5-8(13)6-1-3-7(4-2-6)12-9(11)14/h1-4H,5H2,(H3,11,12,14)
InChIKey
NTKLCVGZXFPCGL-UHFFFAOYSA-N
Compound name
[4-(2-chloroacetyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.03525 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04253 143.6
[M+Na]+ 235.02447 151.1
[M-H]- 211.02797 147.0
[M+NH4]+ 230.06907 162.3
[M+K]+ 250.99841 147.5
[M+H-H2O]+ 195.03251 138.3
[M+HCOO]- 257.03345 164.0
[M+CH3COO]- 271.04910 188.9
[M+Na-2H]- 233.00992 147.6
[M]+ 212.03470 143.6
[M]- 212.03580 143.6
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