CID 20355851

1197231-27-8

Structural Information

Molecular Formula

C₅H₃FN₂O₂

SMILES

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

InChI

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

InChIKey

LMDPXTJGCUZRAF-UHFFFAOYSA-N

Compound name

6-fluoropyrazine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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]+	143.025126	122.5
[M+Na]+	165.007068	132.2
[M-H]-	141.010574	121.4
[M+NH4]+	160.051673	140.7
[M+K]+	180.981008	130.6
[M+H-H2O]+	125.015110	115.2
[M+HCOO]-	187.016051	142.9
[M+CH3COO]-	201.031701	169.8
[M+Na-2H]-	162.992516	130.0
[M]+	142.01730142	120.9
[M]-	142.01839858	120.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe