CID 45602158

1-(2,2-difluoroethyl)-4-methyl-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C6H9F2N3
SMILES
CC1=CN(N=C1N)CC(F)F
InChI
InChI=1S/C6H9F2N3/c1-4-2-11(3-5(7)8)10-6(4)9/h2,5H,3H2,1H3,(H2,9,10)
InChIKey
GDDRBZXOGSZJFG-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethyl)-4-methylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

161.07645 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.08373 132.1
[M+Na]+ 184.06567 140.7
[M+NH4]+ 179.11027 138.1
[M+K]+ 200.03961 138.1
[M-H]- 160.06917 129.6
[M+Na-2H]- 182.05112 135.5
[M]+ 161.07590 132.1
[M]- 161.07700 132.1
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