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]+ 210.08373 140.7
[M+Na]+ 232.06567 151.2
[M-H]- 208.06917 142.7
[M+NH4]+ 227.11027 158.6
[M+K]+ 248.03961 146.7
[M+H-H2O]+ 192.07371 131.1
[M+HCOO]- 254.07465 163.0
[M+CH3COO]- 268.09030 188.2
[M+Na-2H]- 230.05112 144.5
[M]+ 209.07590 137.6
[M]- 209.07700 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.