CID 97838

1,3-dioxolane, 4-phenyl-2-(phenylmethyl)-

Structural Information

Molecular Formula
C16H16O2
SMILES
C1C(OC(O1)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H16O2/c1-3-7-13(8-4-1)11-16-17-12-15(18-16)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKey
WIAZXGHBTOASSQ-UHFFFAOYSA-N
Compound name
2-benzyl-4-phenyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.11504 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 153.4
[M+Na]+ 263.10426 159.6
[M-H]- 239.10776 164.0
[M+NH4]+ 258.14886 169.5
[M+K]+ 279.07820 158.3
[M+H-H2O]+ 223.11230 146.2
[M+HCOO]- 285.11324 175.1
[M+CH3COO]- 299.12889 166.3
[M+Na-2H]- 261.08971 158.9
[M]+ 240.11449 153.0
[M]- 240.11559 153.0
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