CID 64560279

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

Structural Information

Molecular Formula
C9H7F2N3
SMILES
C1=CC(=C(C=C1F)F)C2=C(NN=C2)N
InChI
InChI=1S/C9H7F2N3/c10-5-1-2-6(8(11)3-5)7-4-13-14-9(7)12/h1-4H,(H3,12,13,14)
InChIKey
YNHYVWKEFBJUAV-UHFFFAOYSA-N
Compound name
4-(2,4-difluorophenyl)-1H-pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.0608 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.068076 136.5
[M+Na]+ 218.050018 147.0
[M-H]- 194.053524 137.3
[M+NH4]+ 213.094623 154.2
[M+K]+ 234.023958 141.8
[M+H-H2O]+ 178.058060 127.4
[M+HCOO]- 240.059001 157.6
[M+CH3COO]- 254.074651 149.2
[M+Na-2H]- 216.035466 140.4
[M]+ 195.06025142 131.2
[M]- 195.06134858 131.2
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.