CID 3693910

2-iodo-6-nitronaphthalene

Structural Information

Molecular Formula
C10H6INO2
SMILES
C1=CC2=C(C=CC(=C2)I)C=C1[N+](=O)[O-]
InChI
InChI=1S/C10H6INO2/c11-9-3-1-8-6-10(12(13)14)4-2-7(8)5-9/h1-6H
InChIKey
HOSUDLAAQNPVAC-UHFFFAOYSA-N
Compound name
2-iodo-6-nitronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

298.94434 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.95162 147.8
[M+Na]+ 321.93356 149.2
[M-H]- 297.93706 145.6
[M+NH4]+ 316.97816 162.7
[M+K]+ 337.90750 148.3
[M+H-H2O]+ 281.94160 142.4
[M+HCOO]- 343.94254 167.4
[M+CH3COO]- 357.95819 187.0
[M+Na-2H]- 319.91901 145.3
[M]+ 298.94379 144.0
[M]- 298.94489 144.0
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

patents stripe