CID 11392

2-nitronaphthalene

Structural Information

Molecular Formula
C10H7NO2
SMILES
C1=CC=C2C=C(C=CC2=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey
ZJYJZEAJZXVAMF-UHFFFAOYSA-N
Compound name
2-nitronaphthalene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

27
References

1801
Patents

173.04768 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05496 131.4
[M+Na]+ 196.03690 139.4
[M-H]- 172.04040 136.4
[M+NH4]+ 191.08150 151.9
[M+K]+ 212.01084 132.9
[M+H-H2O]+ 156.04494 130.1
[M+HCOO]- 218.04588 156.8
[M+CH3COO]- 232.06153 174.4
[M+Na-2H]- 194.02235 142.4
[M]+ 173.04713 129.9
[M]- 173.04823 129.9
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