CID 94948

4-nitro-9,10-phenanthrenedione

Structural Information

Molecular Formula
C14H7NO4
SMILES
C1=CC=C2C(=C1)C3=C(C=CC=C3[N+](=O)[O-])C(=O)C2=O
InChI
InChI=1S/C14H7NO4/c16-13-9-5-2-1-4-8(9)12-10(14(13)17)6-3-7-11(12)15(18)19/h1-7H
InChIKey
ZJQSMTNUXDRCDQ-UHFFFAOYSA-N
Compound name
4-nitrophenanthrene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

253.0375 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04478 149.8
[M+Na]+ 276.02672 165.9
[M+NH4]+ 271.07132 158.9
[M+K]+ 292.00066 160.9
[M-H]- 252.03022 154.5
[M+Na-2H]- 274.01217 156.3
[M]+ 253.03695 153.4
[M]- 253.03805 153.4
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