CID 64271887

1339604-08-8

Structural Information

Molecular Formula
C7H6F3N3O2
SMILES
C1=C(N=CC(=N1)NCC(F)(F)F)C(=O)O
InChI
InChI=1S/C7H6F3N3O2/c8-7(9,10)3-13-5-2-11-4(1-12-5)6(14)15/h1-2H,3H2,(H,12,13)(H,14,15)
InChIKey
PROCYFRYEDPOKC-UHFFFAOYSA-N
Compound name
5-(2,2,2-trifluoroethylamino)pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.04121 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.04849 143.8
[M+Na]+ 244.03043 151.0
[M+NH4]+ 239.07503 147.1
[M+K]+ 260.00437 148.3
[M-H]- 220.03393 138.5
[M+Na-2H]- 242.01588 146.8
[M]+ 221.04066 142.7
[M]- 221.04176 142.7
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

No patent data available for this compound.