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

64
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

literature stripe

Patent stripe

patents stripe