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]+	263.050306	151.3
[M+Na]+	285.032248	161.6
[M-H]-	261.035754	156.2
[M+NH4]+	280.076853	170.2
[M+K]+	301.006188	157.8
[M+H-H2O]+	245.040290	147.2
[M+HCOO]-	307.041231	163.9
[M+CH3COO]-	321.056881	194.0
[M+Na-2H]-	283.017696	152.8
[M]+	262.04248142	159.0
[M]-	262.04357858	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe