CID 199256

Hc 1654

Structural Information

Molecular Formula

C₁₁H₁₅ClO₃

SMILES

CC(CO)(CO)COC1=CC=CC=C1Cl

InChI

InChI=1S/C11H15ClO3/c1-11(6-13,7-14)8-15-10-5-3-2-4-9(10)12/h2-5,13-14H,6-8H2,1H3

InChIKey

XUPWSSQZGXIAOC-UHFFFAOYSA-N

Compound name

2-[(2-chlorophenoxy)methyl]-2-methylpropane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.07097 Da
Monoisotopic Mass: 1.8
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]+	231.078246	148.9
[M+Na]+	253.060188	156.7
[M-H]-	229.063694	149.9
[M+NH4]+	248.104793	166.8
[M+K]+	269.034128	152.5
[M+H-H2O]+	213.068230	144.7
[M+HCOO]-	275.069171	164.4
[M+CH3COO]-	289.084821	183.5
[M+Na-2H]-	251.045636	154.8
[M]+	230.07042142	152.1
[M]-	230.07151858	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.