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 141.5
[M+Na]+ 244.03043 149.9
[M-H]- 220.03393 137.5
[M+NH4]+ 239.07503 156.0
[M+K]+ 260.00437 147.1
[M+H-H2O]+ 204.03847 131.9
[M+HCOO]- 266.03941 158.4
[M+CH3COO]- 280.05506 186.1
[M+Na-2H]- 242.01588 147.7
[M]+ 221.04066 136.8
[M]- 221.04176 136.8
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.