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
4
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 162.8
[M+Na]+ 315.03762 169.3
[M-H]- 291.04112 168.7
[M+NH4]+ 310.08222 180.4
[M+K]+ 331.01156 157.3
[M+H-H2O]+ 275.04566 164.4
[M+HCOO]- 337.04660 185.5
[M+CH3COO]- 351.06225 195.3
[M+Na-2H]- 313.02307 173.5
[M]+ 292.04785 162.4
[M]- 292.04895 162.4
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