CID 6849

1-nitronaphthalene

Structural Information

Molecular Formula
C10H7NO2
SMILES
C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey
RJKGJBPXVHTNJL-UHFFFAOYSA-N
Compound name
1-nitronaphthalene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

95
References

4408
Patents

173.04768 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05496 131.2
[M+Na]+ 196.03690 147.0
[M+NH4]+ 191.08150 141.5
[M+K]+ 212.01084 141.8
[M-H]- 172.04040 136.4
[M+Na-2H]- 194.02235 140.0
[M]+ 173.04713 135.0
[M]- 173.04823 135.0
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