CID 12884774

1-chloro-2,6-naphthyridine

Structural Information

Molecular Formula
C8H5ClN2
SMILES
C1=CN=C(C2=C1C=NC=C2)Cl
InChI
InChI=1S/C8H5ClN2/c9-8-7-2-3-10-5-6(7)1-4-11-8/h1-5H
InChIKey
WNHXOMIPBUWDIJ-UHFFFAOYSA-N
Compound name
1-chloro-2,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

164.01413 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.021406 127.9
[M+Na]+ 187.003348 139.0
[M-H]- 163.006854 129.8
[M+NH4]+ 182.047953 148.0
[M+K]+ 202.977288 134.5
[M+H-H2O]+ 147.011390 121.3
[M+HCOO]- 209.012331 145.4
[M+CH3COO]- 223.027981 142.0
[M+Na-2H]- 184.988796 138.9
[M]+ 164.01358142 129.6
[M]- 164.01467858 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

No literature data available for this compound.

Patent stripe

patents stripe