CID 12342712

8-chloro-[1,7]naphthyridine

Structural Information

Molecular Formula
C8H5ClN2
SMILES
C1=CC2=C(C(=NC=C2)Cl)N=C1
InChI
InChI=1S/C8H5ClN2/c9-8-7-6(3-5-11-8)2-1-4-10-7/h1-5H
InChIKey
FMSVBSQYYFTDSR-UHFFFAOYSA-N
Compound name
8-chloro-1,7-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

164.01413 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

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