CID 81004564

1500224-08-7

Structural Information

Molecular Formula

C₁₁H₁₅ClO₃S

SMILES

CC1=CC(=C(C=C1OC)C(C)C)S(=O)(=O)Cl

InChI

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

InChIKey

SXUHXPHKETUHCQ-UHFFFAOYSA-N

Compound name

4-methoxy-5-methyl-2-propan-2-ylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 262.04303 Da
Monoisotopic Mass: 3.4
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	156.9
[M+Na]+	285.03225	169.6
[M+NH4]+	280.07685	164.7
[M+K]+	301.00619	162.1
[M-H]-	261.03575	157.7
[M+Na-2H]-	283.01770	161.6
[M]+	262.04248	159.8
[M]-	262.04358	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe