CID 66545152

5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid

Structural Information

Molecular Formula
C11H4F6N2O2
SMILES
C1=CC(=NC2=C1C(=CC(=N2)C(F)(F)F)C(F)(F)F)C(=O)O
InChI
InChI=1S/C11H4F6N2O2/c12-10(13,14)5-3-7(11(15,16)17)19-8-4(5)1-2-6(18-8)9(20)21/h1-3H,(H,20,21)
InChIKey
DRAUWGYAQKRJFV-UHFFFAOYSA-N
Compound name
5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.0177 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.02498 161.7
[M+Na]+ 333.00692 173.2
[M-H]- 309.01042 155.5
[M+NH4]+ 328.05152 174.3
[M+K]+ 348.98086 167.9
[M+H-H2O]+ 293.01496 150.0
[M+HCOO]- 355.01590 171.1
[M+CH3COO]- 369.03155 201.5
[M+Na-2H]- 330.99237 166.3
[M]+ 310.01715 154.6
[M]- 310.01825 154.6
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.