CID 18616199

953408-82-7

Structural Information

Molecular Formula

C₈H₇ClO₃S

SMILES

C1COC2=C1C=CC=C2S(=O)(=O)Cl

InChI

InChI=1S/C8H7ClO3S/c9-13(10,11)7-3-1-2-6-4-5-12-8(6)7/h1-3H,4-5H2

InChIKey

UNECAYDZDLGSLP-UHFFFAOYSA-N

Compound name

2,3-dihydro-1-benzofuran-7-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 217.98044 Da
Monoisotopic Mass: 1.9
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]+	218.987716	141.0
[M+Na]+	240.969658	152.1
[M-H]-	216.973164	147.2
[M+NH4]+	236.014263	162.9
[M+K]+	256.943598	149.5
[M+H-H2O]+	200.977700	138.0
[M+HCOO]-	262.978641	154.2
[M+CH3COO]-	276.994291	179.7
[M+Na-2H]-	238.955106	147.0
[M]+	217.97989142	146.5
[M]-	217.98098858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe