CID 3452219

Methyl 4-hydroxy-6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate

Structural Information

Molecular Formula
C10H6F3NO4
SMILES
COC(=O)C1=CC2=C(O1)NC(=CC2=O)C(F)(F)F
InChI
InChI=1S/C10H6F3NO4/c1-17-9(16)6-2-4-5(15)3-7(10(11,12)13)14-8(4)18-6/h2-3H,1H3,(H,14,15)
InChIKey
GVLGEIBBRVFSKV-UHFFFAOYSA-N
Compound name
methyl 4-oxo-6-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

261.0249 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.03218 147.3
[M+Na]+ 284.01412 159.7
[M-H]- 260.01762 147.5
[M+NH4]+ 279.05872 164.1
[M+K]+ 299.98806 157.3
[M+H-H2O]+ 244.02216 139.5
[M+HCOO]- 306.02310 165.3
[M+CH3COO]- 320.03875 189.9
[M+Na-2H]- 281.99957 152.9
[M]+ 261.02435 148.7
[M]- 261.02545 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.