CID 130116246

3,5-bis(trifluoromethyl)pyrazin-2-amine

Structural Information

Molecular Formula
C6H3F6N3
SMILES
C1=C(N=C(C(=N1)N)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C6H3F6N3/c7-5(8,9)2-1-14-4(13)3(15-2)6(10,11)12/h1H,(H2,13,14)
InChIKey
HWPILMLGOLUPOC-UHFFFAOYSA-N
Compound name
3,5-bis(trifluoromethyl)pyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.02312 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.03040 141.3
[M+Na]+ 254.01234 152.3
[M-H]- 230.01584 135.0
[M+NH4]+ 249.05694 156.3
[M+K]+ 269.98628 148.5
[M+H-H2O]+ 214.02038 129.9
[M+HCOO]- 276.02132 154.8
[M+CH3COO]- 290.03697 190.6
[M+Na-2H]- 251.99779 146.6
[M]+ 231.02257 131.4
[M]- 231.02367 131.4
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.