CID 11686962

3-chloro-1,8-naphthyridine

Structural Information

Molecular Formula
C8H5ClN2
SMILES
C1=CC2=CC(=CN=C2N=C1)Cl
InChI
InChI=1S/C8H5ClN2/c9-7-4-6-2-1-3-10-8(6)11-5-7/h1-5H
InChIKey
JMXCJYDVRCEOMI-UHFFFAOYSA-N
Compound name
3-chloro-1,8-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

164.01413 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.02141 127.9
[M+Na]+ 187.00335 139.0
[M-H]- 163.00685 129.8
[M+NH4]+ 182.04795 148.0
[M+K]+ 202.97729 134.5
[M+H-H2O]+ 147.01139 121.3
[M+HCOO]- 209.01233 145.4
[M+CH3COO]- 223.02798 142.0
[M+Na-2H]- 184.98880 138.9
[M]+ 164.01358 129.6
[M]- 164.01468 129.6
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

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