CID 2794897

5-(4-chlorophenoxy)pentan-1-ol

Structural Information

Molecular Formula

C₁₁H₁₅ClO₂

SMILES

C1=CC(=CC=C1OCCCCCO)Cl

InChI

InChI=1S/C11H15ClO2/c12-10-4-6-11(7-5-10)14-9-3-1-2-8-13/h4-7,13H,1-3,8-9H2

InChIKey

RPTVYVVKNVSHMI-UHFFFAOYSA-N

Compound name

5-(4-chlorophenoxy)pentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 214.07605 Da
Monoisotopic Mass: 3.0
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]+	215.083326	145.3
[M+Na]+	237.065268	153.1
[M-H]-	213.068774	147.2
[M+NH4]+	232.109873	164.4
[M+K]+	253.039208	148.8
[M+H-H2O]+	197.073310	140.4
[M+HCOO]-	259.074251	163.6
[M+CH3COO]-	273.089901	183.7
[M+Na-2H]-	235.050716	150.8
[M]+	214.07550142	149.3
[M]-	214.07659858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe