CID 13210231

88041-83-2

Structural Information

Molecular Formula

C₁₁H₁₅ClO₃S

SMILES

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

InChI

InChI=1S/C11H15ClO3S/c1-11(2,3)8-5-6-9(15-4)10(7-8)16(12,13)14/h5-7H,1-4H3

InChIKey

MMKJABSTFRSIQT-UHFFFAOYSA-N

Compound name

5-tert-butyl-2-methoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 262.04303 Da
Monoisotopic Mass: 3.6
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]+	263.05031	159.2
[M+Na]+	285.03225	171.5
[M+NH4]+	280.07685	166.8
[M+K]+	301.00619	164.1
[M-H]-	261.03575	159.5
[M+Na-2H]-	283.01770	164.2
[M]+	262.04248	161.9
[M]-	262.04358	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe