CID 12175269

851386-39-5

Structural Information

Molecular Formula

C₆H₃F₂NO₂

SMILES

C1=C(C(=CN=C1F)F)C(=O)O

InChI

InChI=1S/C6H3F2NO2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H,10,11)

InChIKey

ZOWKELQABLPUIR-UHFFFAOYSA-N

Compound name

2,5-difluoropyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 159.01318 Da
Monoisotopic Mass: 0.9
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]+	160.020456	124.4
[M+Na]+	182.002398	134.6
[M-H]-	158.005904	123.6
[M+NH4]+	177.047003	143.5
[M+K]+	197.976338	132.5
[M+H-H2O]+	142.010440	117.1
[M+HCOO]-	204.011381	144.7
[M+CH3COO]-	218.027031	174.0
[M+Na-2H]-	179.987846	130.0
[M]+	159.01263142	121.9
[M]-	159.01372858	121.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe