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

20
Patents

239.06703 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07431 149.3
[M+Na]+ 262.05625 159.1
[M-H]- 238.05975 149.5
[M+NH4]+ 257.10085 163.8
[M+K]+ 278.03019 153.8
[M+H-H2O]+ 222.06429 138.4
[M+HCOO]- 284.06523 167.6
[M+CH3COO]- 298.08088 192.7
[M+Na-2H]- 260.04170 155.8
[M]+ 239.06648 143.5
[M]- 239.06758 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