CID 12571129

1138-54-1

Structural Information

Molecular Formula

C₁₀H₁₃ClO₃S

SMILES

CC(C)COC1=CC=C(C=C1)S(=O)(=O)Cl

InChI

InChI=1S/C10H13ClO3S/c1-8(2)7-14-9-3-5-10(6-4-9)15(11,12)13/h3-6,8H,7H2,1-2H3

InChIKey

NHXWTFAPVNWYJI-UHFFFAOYSA-N

Compound name

4-(2-methylpropoxy)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 248.02739 Da
Monoisotopic Mass: 3.2
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]+	249.03467	152.2
[M+Na]+	271.01661	164.5
[M+NH4]+	266.06121	160.2
[M+K]+	286.99055	156.8
[M-H]-	247.02011	153.0
[M+Na-2H]-	269.00206	157.6
[M]+	248.02684	155.0
[M]-	248.02794	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe