CID 17024580

1-ethyl-3-methyl-1h-pyrazole-4-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₉ClN₂O₂S

SMILES

CCN1C=C(C(=N1)C)S(=O)(=O)Cl

InChI

InChI=1S/C6H9ClN2O2S/c1-3-9-4-6(5(2)8-9)12(7,10)11/h4H,3H2,1-2H3

InChIKey

CIMPNTHRHLIUSL-UHFFFAOYSA-N

Compound name

1-ethyl-3-methylpyrazole-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 208.00732 Da
Monoisotopic Mass: 1.0
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	143.8
[M+Na]+	230.99654	155.5
[M+NH4]+	226.04114	151.1
[M+K]+	246.97048	150.2
[M-H]-	207.00004	142.8
[M+Na-2H]-	228.98199	147.5
[M]+	208.00677	145.8
[M]-	208.00787	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe