CID 2777542

2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid

Structural Information

Molecular Formula
C10H5F3N2O2
SMILES
C1=CC2=CC(=C(N=C2N=C1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C10H5F3N2O2/c11-10(12,13)7-6(9(16)17)4-5-2-1-3-14-8(5)15-7/h1-4H,(H,16,17)
InChIKey
VADNFSJODZWNRD-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

242.03032 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.037596 147.3
[M+Na]+ 265.019538 157.7
[M-H]- 241.023044 144.5
[M+NH4]+ 260.064143 162.5
[M+K]+ 280.993478 153.5
[M+H-H2O]+ 225.027580 137.7
[M+HCOO]- 287.028521 162.0
[M+CH3COO]- 301.044171 188.9
[M+Na-2H]- 263.004986 154.1
[M]+ 242.02977142 143.8
[M]- 242.03086858 143.8
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