CID 14573

1206-38-8

Structural Information

Molecular Formula

C₁₁H₁₃ClO₃

SMILES

CC1(OCC(O1)CO)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H13ClO3/c1-11(14-7-10(6-13)15-11)8-2-4-9(12)5-3-8/h2-5,10,13H,6-7H2,1H3

InChIKey

IPYOCBWUDXJNGI-UHFFFAOYSA-N

Compound name

[2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 228.05533 Da
Monoisotopic Mass: 1.5
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]+	229.062606	146.8
[M+Na]+	251.044548	155.8
[M-H]-	227.048054	153.8
[M+NH4]+	246.089153	166.4
[M+K]+	267.018488	154.0
[M+H-H2O]+	211.052590	142.7
[M+HCOO]-	273.053531	162.8
[M+CH3COO]-	287.069181	182.9
[M+Na-2H]-	249.029996	152.7
[M]+	228.05478142	149.6
[M]-	228.05587858	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe