CID 122710

Bis(trifluoromethyl)methyl pyrazinoate

Structural Information

Molecular Formula
C8H4F6N2O2
SMILES
C1=CN=C(C=N1)C(=O)OC(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C8H4F6N2O2/c9-7(10,11)6(8(12,13)14)18-5(17)4-3-15-1-2-16-4/h1-3,6H
InChIKey
WVGZASXPUIGDQS-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoropropan-2-yl pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.0177 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.02498 149.7
[M+Na]+ 297.00692 158.6
[M-H]- 273.01042 143.2
[M+NH4]+ 292.05152 162.7
[M+K]+ 312.98086 156.2
[M+H-H2O]+ 257.01496 137.7
[M+HCOO]- 319.01590 160.9
[M+CH3COO]- 333.03155 194.2
[M+Na-2H]- 294.99237 154.1
[M]+ 274.01715 142.4
[M]- 274.01825 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.