CID 11095490

406676-21-9

Structural Information

Molecular Formula

C₆H₂ClF₂NO₂

SMILES

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

InChI

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

InChIKey

VGJLRTQANXKSET-UHFFFAOYSA-N

Compound name

5-chloro-2,3-difluoropyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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	127.9
[M+Na]+	215.96343	139.8
[M-H]-	191.96693	127.3
[M+NH4]+	211.00803	146.9
[M+K]+	231.93737	135.8
[M+H-H2O]+	175.97147	121.7
[M+HCOO]-	237.97241	143.7
[M+CH3COO]-	251.98806	179.1
[M+Na-2H]-	213.94888	132.6
[M]+	192.97366	127.8
[M]-	192.97476	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe