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

52
Patents

242.03032 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.03760 147.3
[M+Na]+ 265.01954 157.7
[M-H]- 241.02304 144.5
[M+NH4]+ 260.06414 162.5
[M+K]+ 280.99348 153.5
[M+H-H2O]+ 225.02758 137.7
[M+HCOO]- 287.02852 162.0
[M+CH3COO]- 301.04417 188.9
[M+Na-2H]- 263.00499 154.1
[M]+ 242.02977 143.8
[M]- 242.03087 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