CID 15915323

84911-01-3

Structural Information

Molecular Formula

C₉H₁₁ClO₃S

SMILES

CCC1=C(C=CC(=C1)S(=O)(=O)Cl)OC

InChI

InChI=1S/C9H11ClO3S/c1-3-7-6-8(14(10,11)12)4-5-9(7)13-2/h4-6H,3H2,1-2H3

InChIKey

LKFURLPDNDFSNK-UHFFFAOYSA-N

Compound name

3-ethyl-4-methoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 234.01175 Da
Monoisotopic Mass: 2.7
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]+	235.019026	144.2
[M+Na]+	257.000968	154.9
[M-H]-	233.004474	149.0
[M+NH4]+	252.045573	164.1
[M+K]+	272.974908	150.9
[M+H-H2O]+	217.009010	140.1
[M+HCOO]-	279.009951	158.5
[M+CH3COO]-	293.025601	186.0
[M+Na-2H]-	254.986416	148.2
[M]+	234.01120142	151.4
[M]-	234.01229858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe