CID 20567072

5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine hydrochloride

Structural Information

Molecular Formula
C11H8F3N3
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=CN=C(C=N2)N
InChI
InChI=1S/C11H8F3N3/c12-11(13,14)8-3-1-2-7(4-8)9-5-17-10(15)6-16-9/h1-6H,(H2,15,17)
InChIKey
KYZMABUPSVQWFX-UHFFFAOYSA-N
Compound name
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

239.06703 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.074306 149.3
[M+Na]+ 262.056248 159.1
[M-H]- 238.059754 149.5
[M+NH4]+ 257.100853 163.8
[M+K]+ 278.030188 153.8
[M+H-H2O]+ 222.064290 138.4
[M+HCOO]- 284.065231 167.6
[M+CH3COO]- 298.080881 192.7
[M+Na-2H]- 260.041696 155.8
[M]+ 239.06648142 143.5
[M]- 239.06757858 143.5
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