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

134
Patents

132.04991 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.057186 121.0
[M+Na]+ 155.039128 129.8
[M-H]- 131.042634 119.3
[M+NH4]+ 150.083733 141.8
[M+K]+ 171.013068 128.8
[M+H-H2O]+ 115.047170 112.4
[M+HCOO]- 177.048111 141.8
[M+CH3COO]- 191.063761 171.2
[M+Na-2H]- 153.024576 126.6
[M]+ 132.04936142 118.2
[M]- 132.05045858 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