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]+ 241.122316 153.3
[M+Na]+ 263.104258 160.6
[M-H]- 239.107764 164.4
[M+NH4]+ 258.148863 171.5
[M+K]+ 279.078198 159.5
[M+H-H2O]+ 223.112300 146.5
[M+HCOO]- 285.113241 175.0
[M+CH3COO]- 299.128891 166.7
[M+Na-2H]- 261.089706 159.8
[M]+ 240.11449142 153.2
[M]- 240.11558858 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