CID 30689135

1092343-70-8

Structural Information

Molecular Formula

C₈H₃F₆NO₂

SMILES

C1=C(C=C(N=C1C(F)(F)F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C8H3F6NO2/c9-7(10,11)4-1-3(6(16)17)2-5(15-4)8(12,13)14/h1-2H,(H,16,17)

InChIKey

FEBDLCQKXTYKFT-UHFFFAOYSA-N

Compound name

2,6-bis(trifluoromethyl)pyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 259.0068 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	260.01408	165.5
[M+Na]+	281.99602	170.0
[M+NH4]+	277.04062	166.7
[M+K]+	297.96996	167.2
[M-H]-	257.99952	157.6
[M+Na-2H]-	279.98147	165.3
[M]+	259.00625	163.4
[M]-	259.00735	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe