CID 60094013

90743-04-7

Structural Information

Molecular Formula

C₁₀H₁₁ClO₂

SMILES

CC(C)C(=O)C1=C(C=CC(=C1)Cl)O

InChI

InChI=1S/C10H11ClO2/c1-6(2)10(13)8-5-7(11)3-4-9(8)12/h3-6,12H,1-2H3

InChIKey

VAACEAMVUSTYDX-UHFFFAOYSA-N

Compound name

1-(5-chloro-2-hydroxyphenyl)-2-methylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 198.04475 Da
Monoisotopic Mass: 3.3
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]+	199.05203	138.2
[M+Na]+	221.03397	147.2
[M-H]-	197.03747	141.0
[M+NH4]+	216.07857	158.1
[M+K]+	237.00791	143.6
[M+H-H2O]+	181.04201	134.2
[M+HCOO]-	243.04295	155.2
[M+CH3COO]-	257.05860	182.7
[M+Na-2H]-	219.01942	141.3
[M]+	198.04420	140.4
[M]-	198.04530	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe