CID 198729

129476-64-8

Structural Information

Molecular Formula
C6H4F3N3O
SMILES
C1=CN=C(C=N1)NC(=O)C(F)(F)F
InChI
InChI=1S/C6H4F3N3O/c7-6(8,9)5(13)12-4-3-10-1-2-11-4/h1-3H,(H,11,12,13)
InChIKey
KDOPMJSLFQNWGE-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-pyrazin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

191.03064 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.03792 133.7
[M+Na]+ 214.01986 142.3
[M-H]- 190.02336 131.0
[M+NH4]+ 209.06446 150.1
[M+K]+ 229.99380 140.1
[M+H-H2O]+ 174.02790 124.0
[M+HCOO]- 236.02884 152.3
[M+CH3COO]- 250.04449 181.6
[M+Na-2H]- 212.00531 141.7
[M]+ 191.03009 128.7
[M]- 191.03119 128.7
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