CID 42281371

2803861-53-0

Structural Information

Molecular Formula
C9H5ClN2O2
SMILES
C1=CC2=CC(=NC(=C2N=C1)Cl)C(=O)O
InChI
InChI=1S/C9H5ClN2O2/c10-8-7-5(2-1-3-11-7)4-6(12-8)9(13)14/h1-4H,(H,13,14)
InChIKey
YLISLRCKZWMAIW-UHFFFAOYSA-N
Compound name
8-chloro-1,7-naphthyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.00395 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01123 137.8
[M+Na]+ 230.99317 148.8
[M-H]- 206.99667 138.8
[M+NH4]+ 226.03777 155.4
[M+K]+ 246.96711 144.1
[M+H-H2O]+ 191.00121 131.4
[M+HCOO]- 253.00215 153.1
[M+CH3COO]- 267.01780 181.8
[M+Na-2H]- 228.97862 145.9
[M]+ 208.00340 140.0
[M]- 208.00450 140.0
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

No patent data available for this compound.