CID 2795024

2,5-dimethylfuran-3-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₇ClO₃S

SMILES

CC1=CC(=C(O1)C)S(=O)(=O)Cl

InChI

InChI=1S/C6H7ClO3S/c1-4-3-6(5(2)10-4)11(7,8)9/h3H,1-2H3

InChIKey

PIXAQZAVANAGLE-UHFFFAOYSA-N

Compound name

2,5-dimethylfuran-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 192
Patents: 193.98044 Da
Monoisotopic Mass: 1.8
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	150.2
[M+NH4]+	212.01426	146.4
[M+K]+	232.94360	145.3
[M-H]-	192.97316	139.6
[M+Na-2H]-	214.95511	141.9
[M]+	193.97989	141.0
[M]-	193.98099	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe