CID 11945

6-nitroquinoline

Structural Information

Molecular Formula
C9H6N2O2
SMILES
C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1
InChI
InChI=1S/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H
InChIKey
SMHPLBXIVNQFBA-UHFFFAOYSA-N
Compound name
6-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

742
Patents

174.04292 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.05020 130.8
[M+Na]+ 197.03214 139.2
[M-H]- 173.03564 134.5
[M+NH4]+ 192.07674 149.9
[M+K]+ 213.00608 132.7
[M+H-H2O]+ 157.04018 128.7
[M+HCOO]- 219.04112 155.2
[M+CH3COO]- 233.05677 174.0
[M+Na-2H]- 195.01759 142.7
[M]+ 174.04237 129.3
[M]- 174.04347 129.3
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