CID 72215673

1393558-71-8

Structural Information

Molecular Formula
C7H4F3NO3
SMILES
C1=C(C=C(NC1=O)C(=O)O)C(F)(F)F
InChI
InChI=1S/C7H4F3NO3/c8-7(9,10)3-1-4(6(13)14)11-5(12)2-3/h1-2H,(H,11,12)(H,13,14)
InChIKey
CBLNTLHIERBSTB-UHFFFAOYSA-N
Compound name
6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.01433 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.021606 134.8
[M+Na]+ 230.003548 144.9
[M-H]- 206.007054 131.4
[M+NH4]+ 225.048153 151.2
[M+K]+ 245.977488 141.5
[M+H-H2O]+ 190.011590 127.0
[M+HCOO]- 252.012531 151.0
[M+CH3COO]- 266.028181 178.3
[M+Na-2H]- 227.988996 139.5
[M]+ 207.01378142 129.7
[M]- 207.01487858 129.7
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.