CID 220316

5335-22-8

Structural Information

Molecular Formula

C₉H₁₁ClO₂

SMILES

CC(COC1=CC=CC=C1Cl)O

InChI

InChI=1S/C9H11ClO2/c1-7(11)6-12-9-5-3-2-4-8(9)10/h2-5,7,11H,6H2,1H3

InChIKey

JEESPINTVCBSTA-UHFFFAOYSA-N

Compound name

1-(2-chlorophenoxy)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 26
Patents: 186.04475 Da
Monoisotopic Mass: 2.4
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]+	187.052026	136.0
[M+Na]+	209.033968	144.4
[M-H]-	185.037474	138.4
[M+NH4]+	204.078573	156.2
[M+K]+	225.007908	141.1
[M+H-H2O]+	169.042010	131.6
[M+HCOO]-	231.042951	154.0
[M+CH3COO]-	245.058601	178.5
[M+Na-2H]-	207.019416	141.4
[M]+	186.04420142	138.7
[M]-	186.04529858	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe