CID 3539105

4,4,5,5-tetraphenyl-1,3-dioxolane

Structural Information

Molecular Formula
C27H22O2
SMILES
C1OC(C(O1)(C2=CC=CC=C2)C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H22O2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)27(29-21-28-26,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2
InChIKey
ZSGIDXIIKOCLFN-UHFFFAOYSA-N
Compound name
4,4,5,5-tetraphenyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.162 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.16928 193.9
[M+Na]+ 401.15122 200.2
[M-H]- 377.15472 210.1
[M+NH4]+ 396.19582 206.7
[M+K]+ 417.12516 196.3
[M+H-H2O]+ 361.15926 182.6
[M+HCOO]- 423.16020 213.8
[M+CH3COO]- 437.17585 204.2
[M+Na-2H]- 399.13667 198.2
[M]+ 378.16145 192.0
[M]- 378.16255 192.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.