CID 10899616

2,7-dichloro-1,8-naphthyridine

Structural Information

Molecular Formula
C8H4Cl2N2
SMILES
C1=CC(=NC2=C1C=CC(=N2)Cl)Cl
InChI
InChI=1S/C8H4Cl2N2/c9-6-3-1-5-2-4-7(10)12-8(5)11-6/h1-4H
InChIKey
BCTQOZWTYDPEPM-UHFFFAOYSA-N
Compound name
2,7-dichloro-1,8-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

58
Patents

197.97516 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.98244 133.5
[M+Na]+ 220.96438 145.7
[M-H]- 196.96788 134.9
[M+NH4]+ 216.00898 152.7
[M+K]+ 236.93832 140.0
[M+H-H2O]+ 180.97242 127.4
[M+HCOO]- 242.97336 145.7
[M+CH3COO]- 256.98901 147.0
[M+Na-2H]- 218.94983 142.8
[M]+ 197.97461 136.4
[M]- 197.97571 136.4
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

patents stripe