CID 79665

5535-52-4

Structural Information

Molecular Formula

C₉H₁₀O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)C=C

InChI

InChI=1S/C9H10O2S/c1-3-12(10,11)9-6-4-8(2)5-7-9/h3-7H,1H2,2H3

InChIKey

VZQFRPMWVXCURA-UHFFFAOYSA-N

Compound name

1-ethenylsulfonyl-4-methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 154
Patents: 182.04015 Da
Monoisotopic Mass: 2.7
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]+	183.04743	138.3
[M+Na]+	205.02937	150.9
[M+NH4]+	200.07397	146.7
[M+K]+	221.00331	142.9
[M-H]-	181.03287	139.6
[M+Na-2H]-	203.01482	144.5
[M]+	182.03960	141.0
[M]-	182.04070	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe