CID 63968794

2,2-difluoro-2-(pyrazin-2-yl)acetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.02408 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03136 130.3
[M+Na]+ 197.01330 139.1
[M-H]- 173.01680 127.6
[M+NH4]+ 192.05790 146.9
[M+K]+ 212.98724 137.1
[M+H-H2O]+ 157.02134 122.1
[M+HCOO]- 219.02228 147.7
[M+CH3COO]- 233.03793 174.8
[M+Na-2H]- 194.99875 138.1
[M]+ 174.02353 127.0
[M]- 174.02463 127.0
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

No patent data available for this compound.