CID 60018

3,7-dinitrofluoranthene

Structural Information

Molecular Formula
C16H8N2O4
SMILES
C1=CC2=C(C=CC3=C2C(=C1)C4=C3C=CC=C4[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C16H8N2O4/c19-17(20)13-8-7-10-9-3-2-6-14(18(21)22)16(9)12-5-1-4-11(13)15(10)12/h1-8H
InChIKey
WAAHHGKGQYVTNS-UHFFFAOYSA-N
Compound name
3,7-dinitrofluoranthene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

0
Patents

292.0484 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.05568 163.1
[M+Na]+ 315.03762 179.2
[M+NH4]+ 310.08222 172.9
[M+K]+ 331.01156 177.7
[M-H]- 291.04112 169.3
[M+Na-2H]- 313.02307 168.3
[M]+ 292.04785 167.1
[M]- 292.04895 167.1
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

No patent data available for this compound.