CID 22712084

627082-12-6

Structural Information

Molecular Formula

C₁₀H₁₃ClO₃S

SMILES

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

InChI

InChI=1S/C10H13ClO3S/c1-7(2)9-6-8(15(11,12)13)4-5-10(9)14-3/h4-7H,1-3H3

InChIKey

VKOMAPGWMCUJAX-UHFFFAOYSA-N

Compound name

4-methoxy-3-propan-2-ylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 248.02739 Da
Monoisotopic Mass: 3.0
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]+	249.034666	147.9
[M+Na]+	271.016608	157.8
[M-H]-	247.020114	152.6
[M+NH4]+	266.061213	167.1
[M+K]+	286.990548	154.1
[M+H-H2O]+	231.024650	143.7
[M+HCOO]-	293.025591	160.8
[M+CH3COO]-	307.041241	189.8
[M+Na-2H]-	269.002056	150.4
[M]+	248.02684142	154.9
[M]-	248.02793858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe