CID 15917496

55661-08-0

Structural Information

Molecular Formula

C₉H₁₁ClO₃S

SMILES

CC1=CC(=CC(=C1S(=O)(=O)Cl)C)OC

InChI

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

InChIKey

FARJAHHRGCAAOY-UHFFFAOYSA-N

Compound name

4-methoxy-2,6-dimethylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 270
Patents: 234.01175 Da
Monoisotopic Mass: 2.6
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]+	235.01903	143.2
[M+Na]+	257.00097	154.7
[M-H]-	233.00447	148.3
[M+NH4]+	252.04557	163.3
[M+K]+	272.97491	150.8
[M+H-H2O]+	217.00901	139.3
[M+HCOO]-	279.00995	157.4
[M+CH3COO]-	293.02560	187.2
[M+Na-2H]-	254.98642	146.6
[M]+	234.01120	150.7
[M]-	234.01230	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe