CID 56773855

2,6-dichloro-1,8-naphthyridine-3-carbonitrile

Structural Information

Molecular Formula
C9H3Cl2N3
SMILES
C1=C2C=C(C(=NC2=NC=C1Cl)Cl)C#N
InChI
InChI=1S/C9H3Cl2N3/c10-7-2-5-1-6(3-12)8(11)14-9(5)13-4-7/h1-2,4H
InChIKey
XYYJEGZQLWIEDC-UHFFFAOYSA-N
Compound name
2,6-dichloro-1,8-naphthyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.9704 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.97768 141.8
[M+Na]+ 245.95962 156.1
[M-H]- 221.96312 142.4
[M+NH4]+ 241.00422 158.1
[M+K]+ 261.93356 148.6
[M+H-H2O]+ 205.96766 129.2
[M+HCOO]- 267.96860 151.0
[M+CH3COO]- 281.98425 153.3
[M+Na-2H]- 243.94507 149.0
[M]+ 222.96985 139.9
[M]- 222.97095 139.9
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.