CID 11954051

1-nitronaphthalene-5,6-oxide

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC2=C(C=CC3C2O3)C(=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H7NO3/c12-11(13)8-3-1-2-7-6(8)4-5-9-10(7)14-9/h1-5,9-10H
InChIKey
GSAMVXYBVGOJMK-UHFFFAOYSA-N
Compound name
4-nitro-1a,7b-dihydronaphtho[1,2-b]oxirene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

189.04259 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.049866 131.1
[M+Na]+ 212.031808 141.8
[M-H]- 188.035314 138.5
[M+NH4]+ 207.076413 146.2
[M+K]+ 228.005748 135.7
[M+H-H2O]+ 172.039850 129.5
[M+HCOO]- 234.040791 153.9
[M+CH3COO]- 248.056441 181.6
[M+Na-2H]- 210.017256 143.5
[M]+ 189.04204142 134.1
[M]- 189.04313858 134.1
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

patents stripe