CID 2745927

5-(trifluoromethy)pyridine-2-carboxamidine hydrochloride

Structural Information

Molecular Formula
C7H6F3N3
SMILES
C1=CC(=NC=C1C(F)(F)F)C(=N)N
InChI
InChI=1S/C7H6F3N3/c8-7(9,10)4-1-2-5(6(11)12)13-3-4/h1-3H,(H3,11,12)
InChIKey
DNYOORVOOFXTAT-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

189.05138 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.05866 134.6
[M+Na]+ 212.04060 142.8
[M-H]- 188.04410 133.0
[M+NH4]+ 207.08520 152.1
[M+K]+ 228.01454 139.7
[M+H-H2O]+ 172.04864 125.7
[M+HCOO]- 234.04958 154.4
[M+CH3COO]- 248.06523 186.0
[M+Na-2H]- 210.02605 140.4
[M]+ 189.05083 126.7
[M]- 189.05193 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe