CID 91619399

3-chloro-6-nitro-1,8-naphthyridine

Structural Information

Molecular Formula
C8H4ClN3O2
SMILES
C1=C2C=C(C=NC2=NC=C1[N+](=O)[O-])Cl
InChI
InChI=1S/C8H4ClN3O2/c9-6-1-5-2-7(12(13)14)4-11-8(5)10-3-6/h1-4H
InChIKey
LVGPOKMODIDWSQ-UHFFFAOYSA-N
Compound name
3-chloro-6-nitro-1,8-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.9992 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.00648 137.2
[M+Na]+ 231.98842 147.1
[M-H]- 207.99192 139.3
[M+NH4]+ 227.03302 154.4
[M+K]+ 247.96236 139.2
[M+H-H2O]+ 191.99646 135.0
[M+HCOO]- 253.99740 155.7
[M+CH3COO]- 268.01305 178.7
[M+Na-2H]- 229.97387 148.5
[M]+ 208.99865 138.0
[M]- 208.99975 138.0
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

No patent data available for this compound.