CID 75481045

1-(methoxymethyl)-1h-pyrazole-5-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₇ClN₂O₃S

SMILES

COCN1C(=CC=N1)S(=O)(=O)Cl

InChI

InChI=1S/C5H7ClN2O3S/c1-11-4-8-5(2-3-7-8)12(6,9)10/h2-3H,4H2,1H3

InChIKey

YEDQYIREWASRGU-UHFFFAOYSA-N

Compound name

2-(methoxymethyl)pyrazole-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 209.98659 Da
Monoisotopic Mass: 0.5
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]+	210.99387	142.0
[M+Na]+	232.97581	153.1
[M+NH4]+	228.02041	148.8
[M+K]+	248.94975	148.4
[M-H]-	208.97931	140.5
[M+Na-2H]-	230.96126	145.8
[M]+	209.98604	143.7
[M]-	209.98714	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe