CID 3492377

2-phenyl-2-(o-tolyl)-1,3-dioxolane

Structural Information

Molecular Formula
C16H16O2
SMILES
CC1=CC=CC=C1C2(OCCO2)C3=CC=CC=C3
InChI
InChI=1S/C16H16O2/c1-13-7-5-6-10-15(13)16(17-11-12-18-16)14-8-3-2-4-9-14/h2-10H,11-12H2,1H3
InChIKey
FPDVOUSXXMREAY-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)-2-phenyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.11504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 153.3
[M+Na]+ 263.10426 160.6
[M-H]- 239.10776 164.4
[M+NH4]+ 258.14886 171.5
[M+K]+ 279.07820 159.5
[M+H-H2O]+ 223.11230 146.5
[M+HCOO]- 285.11324 175.0
[M+CH3COO]- 299.12889 166.7
[M+Na-2H]- 261.08971 159.8
[M]+ 240.11449 153.2
[M]- 240.11559 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe