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]+ 224.02213 142.2
[M+Na]+ 246.00407 152.6
[M-H]- 222.00757 144.5
[M+NH4]+ 241.04867 159.2
[M+K]+ 261.97801 144.5
[M+H-H2O]+ 206.01211 140.1
[M+HCOO]- 268.01305 160.4
[M+CH3COO]- 282.02870 182.8
[M+Na-2H]- 243.98952 152.2
[M]+ 223.01430 143.7
[M]- 223.01540 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.