CID 383347

Nsc671461

Structural Information

Molecular Formula
C17H16O2
SMILES
C=CC1(OCCO1)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H16O2/c1-2-17(18-12-13-19-17)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h2-11H,1,12-13H2
InChIKey
HYGNNRLZNCREHV-UHFFFAOYSA-N
Compound name
2-ethenyl-2-(4-phenylphenyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.11504 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12232 157.1
[M+Na]+ 275.10426 164.2
[M-H]- 251.10776 168.0
[M+NH4]+ 270.14886 174.7
[M+K]+ 291.07820 162.3
[M+H-H2O]+ 235.11230 150.1
[M+HCOO]- 297.11324 178.7
[M+CH3COO]- 311.12889 170.1
[M+Na-2H]- 273.08971 163.0
[M]+ 252.11449 156.6
[M]- 252.11559 156.6
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

No patent data available for this compound.