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

2
Patents

240.11504 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.122316 153.4
[M+Na]+ 263.104258 159.6
[M-H]- 239.107764 164.0
[M+NH4]+ 258.148863 169.5
[M+K]+ 279.078198 158.3
[M+H-H2O]+ 223.112300 146.2
[M+HCOO]- 285.113241 175.1
[M+CH3COO]- 299.128891 166.3
[M+Na-2H]- 261.089706 158.9
[M]+ 240.11449142 153.0
[M]- 240.11558858 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