CID 57468575

5-(difluoromethyl)pyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C6H4F2N2O2
SMILES
C1=C(N=CC(=N1)C(=O)O)C(F)F
InChI
InChI=1S/C6H4F2N2O2/c7-5(8)3-1-10-4(2-9-3)6(11)12/h1-2,5H,(H,11,12)
InChIKey
UYWJPTNAOQSWOS-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

343
Patents

174.02408 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03136 133.3
[M+Na]+ 197.01330 143.2
[M+NH4]+ 192.05790 138.4
[M+K]+ 212.98724 139.7
[M-H]- 173.01680 129.7
[M+Na-2H]- 194.99875 137.5
[M]+ 174.02353 133.2
[M]- 174.02463 133.2
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