CID 119084512

5-ethylfuran-2-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₇ClO₃S

SMILES

CCC1=CC=C(O1)S(=O)(=O)Cl

InChI

InChI=1S/C6H7ClO3S/c1-2-5-3-4-6(10-5)11(7,8)9/h3-4H,2H2,1H3

InChIKey

IKKZOQBZEXWPLL-UHFFFAOYSA-N

Compound name

5-ethylfuran-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 193.98044 Da
Monoisotopic Mass: 2.2
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]+	194.98772	138.1
[M+Na]+	216.96966	149.8
[M+NH4]+	212.01426	146.3
[M+K]+	232.94360	144.7
[M-H]-	192.97316	139.5
[M+Na-2H]-	214.95511	142.1
[M]+	193.97989	140.8
[M]-	193.98099	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe