CID 368852

Nsc640188

Structural Information

Molecular Formula
C26H20O3S
SMILES
C1=CC=C(C=C1)C2(C(OS(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H20O3S/c27-30-28-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(29-30,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKey
PTYZVNIRLCVZBR-UHFFFAOYSA-N
Compound name
4,4,5,5-tetraphenyl-1,3,2-dioxathiolane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.1133 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.12058 199.1
[M+Na]+ 435.10252 207.7
[M-H]- 411.10602 216.1
[M+NH4]+ 430.14712 211.9
[M+K]+ 451.07646 204.1
[M+H-H2O]+ 395.11056 189.5
[M+HCOO]- 457.11150 215.9
[M+CH3COO]- 471.12715 209.8
[M+Na-2H]- 433.08797 202.1
[M]+ 412.11275 200.7
[M]- 412.11385 200.7
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.