CID 38215

4-chloro-3-oxo-n-phenylbutanamide

Structural Information

Molecular Formula
C10H10ClNO2
SMILES
C1=CC=C(C=C1)NC(=O)CC(=O)CCl
InChI
InChI=1S/C10H10ClNO2/c11-7-9(13)6-10(14)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)
InChIKey
CJLSDBRIXZFCKV-UHFFFAOYSA-N
Compound name
4-chloro-3-oxo-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

138
Patents

211.04001 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.047286 143.6
[M+Na]+ 234.029228 150.6
[M-H]- 210.032734 146.9
[M+NH4]+ 229.073833 162.6
[M+K]+ 250.003168 147.0
[M+H-H2O]+ 194.037270 138.2
[M+HCOO]- 256.038211 163.2
[M+CH3COO]- 270.053861 186.3
[M+Na-2H]- 232.014676 148.6
[M]+ 211.03946142 145.3
[M]- 211.04055858 145.3
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