CID 81341145

1-(difluoromethyl)-1h-pyrazole-4-sulfonamide

Structural Information

Molecular Formula

C₄H₅F₂N₃O₂S

SMILES

C1=C(C=NN1C(F)F)S(=O)(=O)N

InChI

InChI=1S/C4H5F2N3O2S/c5-4(6)9-2-3(1-8-9)12(7,10)11/h1-2,4H,(H2,7,10,11)

InChIKey

HOUJBEYZGVTUII-UHFFFAOYSA-N

Compound name

1-(difluoromethyl)pyrazole-4-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 197.00705 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.01433	133.3
[M+Na]+	219.99627	143.6
[M-H]-	195.99977	132.2
[M+NH4]+	215.04087	151.7
[M+K]+	235.97021	141.3
[M+H-H2O]+	180.00431	125.4
[M+HCOO]-	242.00525	148.8
[M+CH3COO]-	256.02090	179.8
[M+Na-2H]-	217.98172	135.5
[M]+	197.00650	132.0
[M]-	197.00760	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe