CID 67699472

Refchem:423606

Structural Information

Molecular Formula

C₁₀H₁₃ClO₂

SMILES

CC(CCOC1=CC(=CC=C1)Cl)O

InChI

InChI=1S/C10H13ClO2/c1-8(12)5-6-13-10-4-2-3-9(11)7-10/h2-4,7-8,12H,5-6H2,1H3

InChIKey

MMNYHBGRNGOPBJ-UHFFFAOYSA-N

Compound name

4-(3-chlorophenoxy)butan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 200.06041 Da
Monoisotopic Mass: 3.1
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]+	201.067686	140.7
[M+Na]+	223.049628	148.7
[M-H]-	199.053134	143.0
[M+NH4]+	218.094233	160.4
[M+K]+	239.023568	145.2
[M+H-H2O]+	183.057670	136.1
[M+HCOO]-	245.058611	158.4
[M+CH3COO]-	259.074261	181.5
[M+Na-2H]-	221.035076	145.6
[M]+	200.05986142	143.8
[M]-	200.06095858	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe