CID 107345100

4-amino-1-(2,2-difluoroethyl)-1h-pyrazole-3-carboxamide

Structural Information

Molecular Formula
C6H8F2N4O
SMILES
C1=C(C(=NN1CC(F)F)C(=O)N)N
InChI
InChI=1S/C6H8F2N4O/c7-4(8)2-12-1-3(9)5(11-12)6(10)13/h1,4H,2,9H2,(H2,10,13)
InChIKey
WBWDKDUFPGEVTG-UHFFFAOYSA-N
Compound name
4-amino-1-(2,2-difluoroethyl)pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.06662 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07390 135.8
[M+Na]+ 213.05584 144.3
[M-H]- 189.05934 134.0
[M+NH4]+ 208.10044 153.5
[M+K]+ 229.02978 142.3
[M+H-H2O]+ 173.06388 126.7
[M+HCOO]- 235.06482 156.6
[M+CH3COO]- 249.08047 187.0
[M+Na-2H]- 211.04129 137.0
[M]+ 190.06607 130.8
[M]- 190.06717 130.8
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.