CID 298916

1,9-phenanthrenediol

Structural Information

Molecular Formula
C14H10O2
SMILES
C1=CC=C2C(=C1)C3=C(C=C2O)C(=CC=C3)O
InChI
InChI=1S/C14H10O2/c15-13-7-3-6-10-9-4-1-2-5-11(9)14(16)8-12(10)13/h1-8,15-16H
InChIKey
ACQLQQHWNCHBLM-UHFFFAOYSA-N
Compound name
phenanthrene-1,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

210.06808 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07536 142.0
[M+Na]+ 233.05730 159.2
[M+NH4]+ 228.10190 152.5
[M+K]+ 249.03124 150.7
[M-H]- 209.06080 146.2
[M+Na-2H]- 231.04275 150.8
[M]+ 210.06753 146.0
[M]- 210.06863 146.0
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