CID 10949053

[4,4'-biphenanthrene]-3,3'-diol

Structural Information

Molecular Formula
C28H18O2
SMILES
C1=CC=C2C(=C1)C=CC3=C2C(=C(C=C3)O)C4=C(C=CC5=C4C6=CC=CC=C6C=C5)O
InChI
InChI=1S/C28H18O2/c29-23-15-13-19-11-9-17-5-1-3-7-21(17)25(19)27(23)28-24(30)16-14-20-12-10-18-6-2-4-8-22(18)26(20)28/h1-16,29-30H
InChIKey
NBWRXHUVCCXVBP-UHFFFAOYSA-N
Compound name
4-(3-hydroxyphenanthren-4-yl)phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
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