CID 11240978

4-chloro-5,6-difluoronicotinic acid

Structural Information

Molecular Formula

C₆H₂ClF₂NO₂

SMILES

C1=C(C(=C(C(=N1)F)F)Cl)C(=O)O

InChI

InChI=1S/C6H2ClF2NO2/c7-3-2(6(11)12)1-10-5(9)4(3)8/h1H,(H,11,12)

InChIKey

SQMYITSFQKNMHA-UHFFFAOYSA-N

Compound name

4-chloro-5,6-difluoropyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 192.97421 Da
Monoisotopic Mass: 1.5
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]+	193.98149	132.2
[M+Na]+	215.96343	144.2
[M+NH4]+	211.00803	138.5
[M+K]+	231.93737	139.3
[M-H]-	191.96693	129.8
[M+Na-2H]-	213.94888	137.1
[M]+	192.97366	133.2
[M]-	192.97476	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe