CID 81339718

1501763-87-6

Structural Information

Molecular Formula

C₅H₆F₃N₃O₂S

SMILES

C1=C(C=NN1CC(F)(F)F)S(=O)(=O)N

InChI

InChI=1S/C5H6F3N3O2S/c6-5(7,8)3-11-2-4(1-10-11)14(9,12)13/h1-2H,3H2,(H2,9,12,13)

InChIKey

PVRPNCDZWCAQNK-UHFFFAOYSA-N

Compound name

1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 229.01328 Da
Monoisotopic Mass: -0.2
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]+	230.02056	141.1
[M+Na]+	252.00250	151.5
[M-H]-	228.00600	138.6
[M+NH4]+	247.04710	158.3
[M+K]+	267.97644	148.6
[M+H-H2O]+	212.01054	132.6
[M+HCOO]-	274.01148	154.7
[M+CH3COO]-	288.02713	184.6
[M+Na-2H]-	249.98795	144.2
[M]+	229.01273	138.8
[M]-	229.01383	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe