CID 80647585

6-(2,2,2-trifluoroethoxy)pyrazin-2-amine

Structural Information

Molecular Formula
C6H6F3N3O
SMILES
C1=C(N=C(C=N1)OCC(F)(F)F)N
InChI
InChI=1S/C6H6F3N3O/c7-6(8,9)3-13-5-2-11-1-4(10)12-5/h1-2H,3H2,(H2,10,12)
InChIKey
UDXNBGXOAPVQTH-UHFFFAOYSA-N
Compound name
6-(2,2,2-trifluoroethoxy)pyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

193.0463 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05358 135.2
[M+Na]+ 216.03552 144.6
[M-H]- 192.03902 132.2
[M+NH4]+ 211.08012 151.6
[M+K]+ 232.00946 142.2
[M+H-H2O]+ 176.04356 125.6
[M+HCOO]- 238.04450 153.9
[M+CH3COO]- 252.06015 182.9
[M+Na-2H]- 214.02097 142.5
[M]+ 193.04575 131.0
[M]- 193.04685 131.0
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

patents stripe