CID 6763

9,10-phenanthrenequinone

Structural Information

Molecular Formula
C14H8O2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O
InChI
InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
InChIKey
YYVYAPXYZVYDHN-UHFFFAOYSA-N
Compound name
phenanthrene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

216
References

35997
Patents

208.05243 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05971 139.9
[M+Na]+ 231.04165 150.2
[M-H]- 207.04515 146.0
[M+NH4]+ 226.08625 161.1
[M+K]+ 247.01559 145.7
[M+H-H2O]+ 191.04969 133.5
[M+HCOO]- 253.05063 161.9
[M+CH3COO]- 267.06628 154.0
[M+Na-2H]- 229.02710 148.9
[M]+ 208.05188 140.2
[M]- 208.05298 140.2
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