CID 66509456

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

Structural Information

Molecular Formula

C₅H₇ClN₂O₂S

SMILES

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

InChI

InChI=1S/C5H7ClN2O2S/c1-2-8-4-3-5(7-8)11(6,9)10/h3-4H,2H2,1H3

InChIKey

SQZJWVSUTZJMII-UHFFFAOYSA-N

Compound name

1-ethylpyrazole-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 193.99167 Da
Monoisotopic Mass: 0.9
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]+	194.99895	139.2
[M+Na]+	216.98089	150.7
[M+NH4]+	212.02549	146.6
[M+K]+	232.95483	145.4
[M-H]-	192.98439	138.1
[M+Na-2H]-	214.96634	143.3
[M]+	193.99112	141.1
[M]-	193.99222	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe