CID 607747

2,8-dichloro-1,5-naphthyridine

Structural Information

Molecular Formula
C8H4Cl2N2
SMILES
C1=CC(=NC2=C(C=CN=C21)Cl)Cl
InChI
InChI=1S/C8H4Cl2N2/c9-5-3-4-11-6-1-2-7(10)12-8(5)6/h1-4H
InChIKey
PSSPSOSBJIWVGU-UHFFFAOYSA-N
Compound name
2,8-dichloro-1,5-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

197.97516 Da
Monoisotopic Mass

2.8
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

No literature data available for this compound.

Patent stripe

patents stripe