CID 137698864

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

Structural Information

Molecular Formula
C6H9F2N3
SMILES
CC1=C(C=NN1CC(F)F)N
InChI
InChI=1S/C6H9F2N3/c1-4-5(9)2-10-11(4)3-6(7)8/h2,6H,3,9H2,1H3
InChIKey
NXYUNDYUMQKKNU-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethyl)-5-methylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

161.07645 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.083726 129.7
[M+Na]+ 184.065668 139.1
[M-H]- 160.069174 128.2
[M+NH4]+ 179.110273 149.4
[M+K]+ 200.039608 137.2
[M+H-H2O]+ 144.073710 121.1
[M+HCOO]- 206.074651 150.7
[M+CH3COO]- 220.090301 180.5
[M+Na-2H]- 182.051116 132.6
[M]+ 161.07590142 126.3
[M]- 161.07699858 126.3
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

patents stripe