CID 137942690

2260933-06-8

Structural Information

Molecular Formula
C9H5ClN2O2
SMILES
C1=CN=CC2=C1C(=CC(=N2)C(=O)O)Cl
InChI
InChI=1S/C9H5ClN2O2/c10-6-3-7(9(13)14)12-8-4-11-2-1-5(6)8/h1-4H,(H,13,14)
InChIKey
UWDPCVHSTBDNKK-UHFFFAOYSA-N
Compound name
4-chloro-1,7-naphthyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.00395 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01123 138.7
[M+Na]+ 230.99317 154.1
[M+NH4]+ 226.03777 147.0
[M+K]+ 246.96711 147.5
[M-H]- 206.99667 139.8
[M+Na-2H]- 228.97862 145.9
[M]+ 208.00340 141.5
[M]- 208.00450 141.5
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.