CID 25247479

1-(2,2-difluoroethyl)-1h-pyrazole

Structural Information

Molecular Formula
C5H6F2N2
SMILES
C1=CN(N=C1)CC(F)F
InChI
InChI=1S/C5H6F2N2/c6-5(7)4-9-3-1-2-8-9/h1-3,5H,4H2
InChIKey
PAPXVYOWIDXXAS-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

132.04991 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.05719 121.0
[M+Na]+ 155.03913 129.8
[M-H]- 131.04263 119.3
[M+NH4]+ 150.08373 141.8
[M+K]+ 171.01307 128.8
[M+H-H2O]+ 115.04717 112.4
[M+HCOO]- 177.04811 141.8
[M+CH3COO]- 191.06376 171.2
[M+Na-2H]- 153.02458 126.6
[M]+ 132.04936 118.2
[M]- 132.05046 118.2
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

patents stripe