CID 88788313

1870686-56-8

Structural Information

Molecular Formula

C₁₀H₁₁ClO₂S

SMILES

C=CCCC1=CC=CC=C1S(=O)(=O)Cl

InChI

InChI=1S/C10H11ClO2S/c1-2-3-6-9-7-4-5-8-10(9)14(11,12)13/h2,4-5,7-8H,1,3,6H2

InChIKey

VNZKILOJZVUIBZ-UHFFFAOYSA-N

Compound name

2-but-3-enylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 230.01683 Da
Monoisotopic Mass: 3.3
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]+	231.02411	145.5
[M+Na]+	253.00605	155.4
[M-H]-	229.00955	149.8
[M+NH4]+	248.05065	165.2
[M+K]+	268.97999	150.0
[M+H-H2O]+	213.01409	141.2
[M+HCOO]-	275.01503	159.4
[M+CH3COO]-	289.03068	184.9
[M+Na-2H]-	250.99150	149.4
[M]+	230.01628	150.5
[M]-	230.01738	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe