CID 66750994

3-(difluoromethyl)pyrazine-2-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

174.02408 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.031356 129.5
[M+Na]+ 197.013298 138.6
[M-H]- 173.016804 126.9
[M+NH4]+ 192.057903 146.2
[M+K]+ 212.987238 136.7
[M+H-H2O]+ 157.021340 121.0
[M+HCOO]- 219.022281 147.5
[M+CH3COO]- 233.037931 176.5
[M+Na-2H]- 194.998746 134.7
[M]+ 174.02353142 126.5
[M]- 174.02462858 126.5
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