CID 374566

4,4'-(anthracene-9,10-diyl)diphenol

Structural Information

Molecular Formula
C26H18O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C4=CC=C(C=C4)O)C5=CC=C(C=C5)O
InChI
InChI=1S/C26H18O2/c27-19-13-9-17(10-14-19)25-21-5-1-2-6-22(21)26(18-11-15-20(28)16-12-18)24-8-4-3-7-23(24)25/h1-16,27-28H
InChIKey
OPKQAOBTBQLNCB-UHFFFAOYSA-N
Compound name
4-[10-(4-hydroxyphenyl)anthracen-9-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

362.13068 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13796 187.7
[M+Na]+ 385.11990 197.1
[M-H]- 361.12340 197.1
[M+NH4]+ 380.16450 200.3
[M+K]+ 401.09384 188.7
[M+H-H2O]+ 345.12794 177.4
[M+HCOO]- 407.12888 206.7
[M+CH3COO]- 421.14453 197.9
[M+Na-2H]- 383.10535 193.8
[M]+ 362.13013 187.6
[M]- 362.13123 187.6
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