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

9
Patents

142.01785 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.02513 122.5
[M+Na]+ 165.00707 132.2
[M-H]- 141.01057 121.4
[M+NH4]+ 160.05167 140.7
[M+K]+ 180.98101 130.6
[M+H-H2O]+ 125.01511 115.2
[M+HCOO]- 187.01605 142.9
[M+CH3COO]- 201.03170 169.8
[M+Na-2H]- 162.99252 130.0
[M]+ 142.01730 120.9
[M]- 142.01840 120.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe