CID 25760

2-nitrofluoranthene

Structural Information

Molecular Formula
C16H9NO2
SMILES
C1=CC=C2C(=C1)C3=CC=CC4=CC(=CC2=C43)[N+](=O)[O-]
InChI
InChI=1S/C16H9NO2/c18-17(19)11-8-10-4-3-7-14-12-5-1-2-6-13(12)15(9-11)16(10)14/h1-9H
InChIKey
VBCBFNMZBHKVQN-UHFFFAOYSA-N
Compound name
2-nitrofluoranthene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

41
References

10
Patents

247.06332 Da
Monoisotopic Mass

5.0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.