CID 23006208

3-(difluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula
C4H4F2N2
SMILES
C1=C(NN=C1)C(F)F
InChI
InChI=1S/C4H4F2N2/c5-4(6)3-1-2-7-8-3/h1-2,4H,(H,7,8)
InChIKey
IUUPOGSCBGSRNF-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

362
Patents

118.034256 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.04153 117.0
[M+Na]+ 141.02347 125.8
[M-H]- 117.02698 114.1
[M+NH4]+ 136.06808 137.7
[M+K]+ 156.99741 124.1
[M+H-H2O]+ 101.03152 108.9
[M+HCOO]- 163.03246 136.7
[M+CH3COO]- 177.04811 165.5
[M+Na-2H]- 139.00892 122.6
[M]+ 118.03371 112.0
[M]- 118.03480 112.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe