CID 72215717

1393552-13-0

Structural Information

Molecular Formula
C8H3F3N2O2
SMILES
C1=C(C=C(N=C1C#N)C(F)(F)F)C(=O)O
InChI
InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-4(7(14)15)1-5(3-12)13-6/h1-2H,(H,14,15)
InChIKey
UGLIPVLYKLHYCT-UHFFFAOYSA-N
Compound name
2-cyano-6-(trifluoromethyl)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.01466 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02194 138.1
[M+Na]+ 239.00388 148.8
[M-H]- 215.00738 135.6
[M+NH4]+ 234.04848 152.8
[M+K]+ 254.97782 146.2
[M+H-H2O]+ 199.01192 123.4
[M+HCOO]- 261.01286 152.0
[M+CH3COO]- 275.02851 195.8
[M+Na-2H]- 236.98933 142.3
[M]+ 216.01411 129.4
[M]- 216.01521 129.4
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.