CID 10960021

[9,9'-biphenanthrene]-10,10'-diol

Structural Information

Molecular Formula
C28H18O2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C(=C2C4=C(C5=CC=CC=C5C6=CC=CC=C64)O)O
InChI
InChI=1S/C28H18O2/c29-27-23-15-7-3-11-19(23)17-9-1-5-13-21(17)25(27)26-22-14-6-2-10-18(22)20-12-4-8-16-24(20)28(26)30/h1-16,29-30H
InChIKey
AIRSOVDICMIOKM-UHFFFAOYSA-N
Compound name
10-(10-hydroxyphenanthren-9-yl)phenanthren-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

62
Patents

386.13068 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.13796 192.8
[M+Na]+ 409.11990 203.8
[M-H]- 385.12340 201.2
[M+NH4]+ 404.16450 206.4
[M+K]+ 425.09384 194.7
[M+H-H2O]+ 369.12794 181.8
[M+HCOO]- 431.12888 210.0
[M+CH3COO]- 445.14453 202.7
[M+Na-2H]- 407.10535 201.3
[M]+ 386.13013 194.7
[M]- 386.13123 194.7
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.