CID 18449302

2,4-dichloro-1,8-naphthyridine

Structural Information

Molecular Formula
C8H4Cl2N2
SMILES
C1=CC2=C(N=C1)N=C(C=C2Cl)Cl
InChI
InChI=1S/C8H4Cl2N2/c9-6-4-7(10)12-8-5(6)2-1-3-11-8/h1-4H
InChIKey
CCQHBZIXZFQYSO-UHFFFAOYSA-N
Compound name
2,4-dichloro-1,8-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

197.97516 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.982436 133.5
[M+Na]+ 220.964378 145.7
[M-H]- 196.967884 134.9
[M+NH4]+ 216.008983 152.7
[M+K]+ 236.938318 140.0
[M+H-H2O]+ 180.972420 127.4
[M+HCOO]- 242.973361 145.7
[M+CH3COO]- 256.989011 147.0
[M+Na-2H]- 218.949826 142.8
[M]+ 197.97461142 136.4
[M]- 197.97570858 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