CID 129916439

4-chloro-1,7-naphthyridine-3-carbonitrile

Structural Information

Molecular Formula
C9H4ClN3
SMILES
C1=CN=CC2=NC=C(C(=C21)Cl)C#N
InChI
InChI=1S/C9H4ClN3/c10-9-6(3-11)4-13-8-5-12-2-1-7(8)9/h1-2,4-5H
InChIKey
RCDBOCBHIVXVGQ-UHFFFAOYSA-N
Compound name
4-chloro-1,7-naphthyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.00937 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.01665 138.7
[M+Na]+ 211.99859 154.4
[M+NH4]+ 207.04319 144.7
[M+K]+ 227.97253 143.2
[M-H]- 188.00209 134.1
[M+Na-2H]- 209.98404 144.5
[M]+ 189.00882 139.2
[M]- 189.00992 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.