CID 94766

Benzopinacol

Structural Information

Molecular Formula
C26H22O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O
InChI
InChI=1S/C26H22O2/c27-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(28,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,27-28H
InChIKey
MFEWNFVBWPABCX-UHFFFAOYSA-N
Compound name
1,1,2,2-tetraphenylethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

6091
Patents

366.162 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.16928 188.5
[M+Na]+ 389.15122 192.0
[M-H]- 365.15472 197.3
[M+NH4]+ 384.19582 197.5
[M+K]+ 405.12516 185.0
[M+H-H2O]+ 349.15926 178.6
[M+HCOO]- 411.16020 205.0
[M+CH3COO]- 425.17585 196.7
[M+Na-2H]- 387.13667 195.6
[M]+ 366.16145 184.0
[M]- 366.16255 184.0
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

patents stripe