CID 66509457

1354704-87-2

Structural Information

Molecular Formula

C₆H₉ClN₂O₂S

SMILES

CC(C)N1C=CC(=N1)S(=O)(=O)Cl

InChI

InChI=1S/C6H9ClN2O2S/c1-5(2)9-4-3-6(8-9)12(7,10)11/h3-5H,1-2H3

InChIKey

UQKMYXQXNOLLRT-UHFFFAOYSA-N

Compound name

1-propan-2-ylpyrazole-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
Patents: 208.00732 Da
Monoisotopic Mass: 1.3
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]+	209.01460	143.2
[M+Na]+	230.99654	154.2
[M+NH4]+	226.04114	150.3
[M+K]+	246.97048	149.6
[M-H]-	207.00004	142.0
[M+Na-2H]-	228.98199	146.9
[M]+	208.00677	145.0
[M]-	208.00787	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe