CID 60874104

3-ethoxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₈H₉ClO₃S

SMILES

CCOC1=CC(=CC=C1)S(=O)(=O)Cl

InChI

InChI=1S/C8H9ClO3S/c1-2-12-7-4-3-5-8(6-7)13(9,10)11/h3-6H,2H2,1H3

InChIKey

KRAMAYNJUAGJIC-UHFFFAOYSA-N

Compound name

3-ethoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 219.9961 Da
Monoisotopic Mass: 2.0
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]+	221.00338	143.7
[M+Na]+	242.98532	156.7
[M+NH4]+	238.02992	152.1
[M+K]+	258.95926	148.7
[M-H]-	218.98882	144.8
[M+Na-2H]-	240.97077	149.9
[M]+	219.99555	146.7
[M]-	219.99665	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe