CID 69673688

1379375-22-0

Structural Information

Molecular Formula

C₇H₄F₃NO₂

SMILES

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

InChI

InChI=1S/C7H4F3NO2/c8-4-3(7(12)13)1-2-11-5(4)6(9)10/h1-2,6H,(H,12,13)

InChIKey

VLJWMPUMFULRAR-UHFFFAOYSA-N

Compound name

2-(difluoromethyl)-3-fluoropyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 191.01941 Da
Monoisotopic Mass: 1.1
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]+	192.02669	140.1
[M+Na]+	214.00863	149.0
[M+NH4]+	209.05323	144.7
[M+K]+	229.98257	145.2
[M-H]-	190.01213	135.8
[M+Na-2H]-	211.99408	143.1
[M]+	191.01886	139.7
[M]-	191.01996	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe