CID 67047953

3-fluoropyrazine-2-carboxylic acid

Structural Information

Molecular Formula

C₅H₃FN₂O₂

SMILES

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

InChI

InChI=1S/C5H3FN2O2/c6-4-3(5(9)10)7-1-2-8-4/h1-2H,(H,9,10)

InChIKey

KHKQEBOUFIBMOG-UHFFFAOYSA-N

Compound name

3-fluoropyrazine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 142.01785 Da
Monoisotopic Mass: 0.1
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]+	143.02513	124.7
[M+Na]+	165.00707	136.5
[M+NH4]+	160.05167	131.1
[M+K]+	180.98101	132.2
[M-H]-	141.01057	122.9
[M+Na-2H]-	162.99252	130.5
[M]+	142.01730	125.5
[M]-	142.01840	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe