CID 81578

7150-55-2

Structural Information

Molecular Formula

C₁₀H₁₁ClO₂

SMILES

C1=CC(=CC=C1C(=O)CCCCl)O

InChI

InChI=1S/C10H11ClO2/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6,12H,1-2,7H2

InChIKey

HZCPODPQEZHXHM-UHFFFAOYSA-N

Compound name

4-chloro-1-(4-hydroxyphenyl)butan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 140
Patents: 198.04475 Da
Monoisotopic Mass: 2.1
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]+	199.05203	139.8
[M+Na]+	221.03397	153.0
[M+NH4]+	216.07857	148.2
[M+K]+	237.00791	146.1
[M-H]-	197.03747	141.3
[M+Na-2H]-	219.01942	146.3
[M]+	198.04420	142.3
[M]-	198.04530	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe