CID 144359

69614-95-5

Structural Information

Molecular Formula

C₁₀H₁₁ClO

SMILES

CC(=O)C1=CC=C(C=C1)CCCl

InChI

InChI=1S/C10H11ClO/c1-8(12)10-4-2-9(3-5-10)6-7-11/h2-5H,6-7H2,1H3

InChIKey

RGVUACHOYCYNMB-UHFFFAOYSA-N

Compound name

1-[4-(2-chloroethyl)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 182.04984 Da
Monoisotopic Mass: 2.6
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]+	183.05712	135.8
[M+Na]+	205.03906	144.6
[M-H]-	181.04256	139.5
[M+NH4]+	200.08366	156.9
[M+K]+	221.01300	140.8
[M+H-H2O]+	165.04710	131.2
[M+HCOO]-	227.04804	155.0
[M+CH3COO]-	241.06369	181.3
[M+Na-2H]-	203.02451	141.2
[M]+	182.04929	138.6
[M]-	182.05039	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe