CID 25497594

949739-51-9

Structural Information

Molecular Formula
C9H4F3NO4
SMILES
C1=C(C2=C(NC1=O)OC(=C2)C(=O)O)C(F)(F)F
InChI
InChI=1S/C9H4F3NO4/c10-9(11,12)4-2-6(14)13-7-3(4)1-5(17-7)8(15)16/h1-2H,(H,13,14)(H,15,16)
InChIKey
JUQDBOUNSCDHRS-UHFFFAOYSA-N
Compound name
6-oxo-4-(trifluoromethyl)-7H-furo[2,3-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.00925 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.01653 142.7
[M+Na]+ 269.99847 155.0
[M-H]- 246.00197 141.7
[M+NH4]+ 265.04307 159.3
[M+K]+ 285.97241 152.0
[M+H-H2O]+ 230.00651 135.4
[M+HCOO]- 292.00745 159.5
[M+CH3COO]- 306.02310 185.2
[M+Na-2H]- 267.98392 148.5
[M]+ 247.00870 142.0
[M]- 247.00980 142.0
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.