CID 125513834

5-chloro-2-methyl-6-nitro-1,8-naphthyridine

Structural Information

Molecular Formula
C9H6ClN3O2
SMILES
CC1=NC2=NC=C(C(=C2C=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C9H6ClN3O2/c1-5-2-3-6-8(10)7(13(14)15)4-11-9(6)12-5/h2-4H,1H3
InChIKey
ZTCZQESEAPFNIR-UHFFFAOYSA-N
Compound name
5-chloro-2-methyl-6-nitro-1,8-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.01485 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.022126 142.2
[M+Na]+ 246.004068 152.6
[M-H]- 222.007574 144.5
[M+NH4]+ 241.048673 159.2
[M+K]+ 261.978008 144.5
[M+H-H2O]+ 206.012110 140.1
[M+HCOO]- 268.013051 160.4
[M+CH3COO]- 282.028701 182.8
[M+Na-2H]- 243.989516 152.2
[M]+ 223.01430142 143.7
[M]- 223.01539858 143.7
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.