CID 165997243

4-difluoromethanesulfonyl-1h-pyrazole

Structural Information

Molecular Formula
C4H4F2N2O2S
SMILES
C1=C(C=NN1)S(=O)(=O)C(F)F
InChI
InChI=1S/C4H4F2N2O2S/c5-4(6)11(9,10)3-1-7-8-2-3/h1-2,4H,(H,7,8)
InChIKey
VKKYQAZAHVGCGF-UHFFFAOYSA-N
Compound name
4-(difluoromethylsulfonyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.99615 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.00343 130.1
[M+Na]+ 204.98537 140.0
[M-H]- 180.98887 127.9
[M+NH4]+ 200.02997 148.8
[M+K]+ 220.95931 137.5
[M+H-H2O]+ 164.99341 122.7
[M+HCOO]- 226.99435 143.8
[M+CH3COO]- 241.01000 171.9
[M+Na-2H]- 202.97082 132.8
[M]+ 181.99560 128.4
[M]- 181.99670 128.4
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

No patent data available for this compound.