CID 2526840

24095-56-5

Structural Information

Molecular Formula

C₁₁H₁₂ClNO₂

SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)CCl

InChI

InChI=1S/C11H12ClNO2/c1-8(14)13-7-9-2-4-10(5-3-9)11(15)6-12/h2-5H,6-7H2,1H3,(H,13,14)

InChIKey

RDOCZJFXANZQGR-UHFFFAOYSA-N

Compound name

N-[[4-(2-chloroacetyl)phenyl]methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 225.05565 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	226.06293	147.8
[M+Na]+	248.04487	159.7
[M+NH4]+	243.08947	155.5
[M+K]+	264.01881	153.4
[M-H]-	224.04837	149.5
[M+Na-2H]-	246.03032	153.7
[M]+	225.05510	150.0
[M]-	225.05620	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe