CID 52848

2-(p-chlorophenyl)-1,3-dioxolane-4-methanol

Structural Information

Molecular Formula
C10H11ClO3
SMILES
C1C(OC(O1)C2=CC=C(C=C2)Cl)CO
InChI
InChI=1S/C10H11ClO3/c11-8-3-1-7(2-4-8)10-13-6-9(5-12)14-10/h1-4,9-10,12H,5-6H2
InChIKey
RHBAZZVEYQNXPQ-UHFFFAOYSA-N
Compound name
[2-(4-chlorophenyl)-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.03967 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.046946 143.9
[M+Na]+ 237.028888 152.3
[M-H]- 213.032394 150.6
[M+NH4]+ 232.073493 161.9
[M+K]+ 253.002828 150.6
[M+H-H2O]+ 197.036930 139.2
[M+HCOO]- 259.037871 160.1
[M+CH3COO]- 273.053521 180.4
[M+Na-2H]- 235.014336 149.0
[M]+ 214.03912142 146.0
[M]- 214.04021858 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.