CID 55279251

1216296-89-7

Structural Information

Molecular Formula

C₆H₇ClN₂O₂S

SMILES

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

InChI

InChI=1S/C6H7ClN2O2S/c1-2-3-9-5-6(4-8-9)12(7,10)11/h2,4-5H,1,3H2

InChIKey

GRPGSKMCHYUBBC-UHFFFAOYSA-N

Compound name

1-prop-2-enylpyrazole-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.99167 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]+	206.99895	143.2
[M+Na]+	228.98089	154.5
[M+NH4]+	224.02549	150.1
[M+K]+	244.95483	148.9
[M-H]-	204.98439	141.9
[M+Na-2H]-	226.96634	147.0
[M]+	205.99112	144.9
[M]-	205.99222	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.