CID 64560863

4-(2,4-difluorophenyl)-1-methyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C10H9F2N3
SMILES
CN1C(=C(C=N1)C2=C(C=C(C=C2)F)F)N
InChI
InChI=1S/C10H9F2N3/c1-15-10(13)8(5-14-15)7-3-2-6(11)4-9(7)12/h2-5H,13H2,1H3
InChIKey
PODLPTUNXZNLDT-UHFFFAOYSA-N
Compound name
4-(2,4-difluorophenyl)-1-methylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.07645 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.083726 141.1
[M+Na]+ 232.065668 152.5
[M-H]- 208.069174 143.4
[M+NH4]+ 227.110273 159.2
[M+K]+ 248.039608 147.9
[M+H-H2O]+ 192.073710 131.7
[M+HCOO]- 254.074651 163.3
[M+CH3COO]- 268.090301 189.4
[M+Na-2H]- 230.051116 144.1
[M]+ 209.07590142 138.4
[M]- 209.07699858 138.4
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.