CID 98574

1,4-phenanthrenedione

Structural Information

Molecular Formula
C14H8O2
SMILES
C1=CC=C2C(=C1)C=CC3=C2C(=O)C=CC3=O
InChI
InChI=1S/C14H8O2/c15-12-7-8-13(16)14-10-4-2-1-3-9(10)5-6-11(12)14/h1-8H
InChIKey
POZPGRADIOPGIR-UHFFFAOYSA-N
Compound name
phenanthrene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

699
Patents

208.05243 Da
Monoisotopic Mass

2.7
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