CID 65805729

2097891-03-5

Structural Information

Molecular Formula
C10H9F2N3
SMILES
C1=CC(=C(C(=C1)F)N2C=CC(=N2)CN)F
InChI
InChI=1S/C10H9F2N3/c11-8-2-1-3-9(12)10(8)15-5-4-7(6-13)14-15/h1-5H,6,13H2
InChIKey
IFZYCANJSKCLHJ-UHFFFAOYSA-N
Compound name
[1-(2,6-difluorophenyl)pyrazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.07645 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.083726 140.7
[M+Na]+ 232.065668 151.2
[M-H]- 208.069174 142.7
[M+NH4]+ 227.110273 158.6
[M+K]+ 248.039608 146.7
[M+H-H2O]+ 192.073710 131.1
[M+HCOO]- 254.074651 163.0
[M+CH3COO]- 268.090301 188.2
[M+Na-2H]- 230.051116 144.5
[M]+ 209.07590142 137.6
[M]- 209.07699858 137.6
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.