CID 94976

6318-17-8

Structural Information

Molecular Formula
C26H20O2
SMILES
C1=CC=C(C=C1)C2(C3=CC=CC=C3C(C4=CC=CC=C42)(C5=CC=CC=C5)O)O
InChI
InChI=1S/C26H20O2/c27-25(19-11-3-1-4-12-19)21-15-7-9-17-23(21)26(28,20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-18,27-28H
InChIKey
RYFIDGIWTNANMO-UHFFFAOYSA-N
Compound name
9,10-diphenylanthracene-9,10-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

129
Patents

364.14633 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.15361 191.8
[M+Na]+ 387.13555 200.1
[M-H]- 363.13905 200.6
[M+NH4]+ 382.18015 207.8
[M+K]+ 403.10949 192.0
[M+H-H2O]+ 347.14359 180.5
[M+HCOO]- 409.14453 208.3
[M+CH3COO]- 423.16018 201.1
[M+Na-2H]- 385.12100 198.9
[M]+ 364.14578 188.9
[M]- 364.14688 188.9
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