CID 4988550

206860-51-7

Structural Information

Molecular Formula
C28H23BrO3
SMILES
C1COC(O1)C2=C(C=CC(=C2)Br)OC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H23BrO3/c29-24-16-17-26(25(20-24)27-30-18-19-31-27)32-28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-17,20,27H,18-19H2
InChIKey
IONBEWLKWSJGRD-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-trityloxyphenyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

486.08307 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.09035 216.3
[M+Na]+ 509.07229 222.8
[M-H]- 485.07579 233.5
[M+NH4]+ 504.11689 225.2
[M+K]+ 525.04623 213.9
[M+H-H2O]+ 469.08033 213.6
[M+HCOO]- 531.08127 232.0
[M+CH3COO]- 545.09692 226.3
[M+Na-2H]- 507.05774 218.9
[M]+ 486.08252 233.6
[M]- 486.08362 233.6
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

patents stripe