CID 13462

3-nitrofluoranthene

Structural Information

Molecular Formula
C16H9NO2
SMILES
C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H9NO2/c18-17(19)15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H
InChIKey
PIHGQKMEAMSUNA-UHFFFAOYSA-N
Compound name
3-nitrofluoranthene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

59
References

132
Patents

247.06332 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07060 151.4
[M+Na]+ 270.05254 160.2
[M-H]- 246.05604 157.7
[M+NH4]+ 265.09714 172.8
[M+K]+ 286.02648 151.2
[M+H-H2O]+ 230.06058 149.3
[M+HCOO]- 292.06152 174.6
[M+CH3COO]- 306.07717 191.6
[M+Na-2H]- 268.03799 161.5
[M]+ 247.06277 152.5
[M]- 247.06387 152.5
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