CID 23028765

1-iodo-4-methanesulfonylbutane

Structural Information

Molecular Formula

C₅H₁₁IO₂S

SMILES

CS(=O)(=O)CCCCI

InChI

InChI=1S/C5H11IO2S/c1-9(7,8)5-3-2-4-6/h2-5H2,1H3

InChIKey

QOKUCQSLILROMW-UHFFFAOYSA-N

Compound name

1-iodo-4-methylsulfonylbutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 261.95245 Da
Monoisotopic Mass: 1.6
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]+	262.95973	143.0
[M+Na]+	284.94167	144.2
[M-H]-	260.94517	137.1
[M+NH4]+	279.98627	159.7
[M+K]+	300.91561	148.6
[M+H-H2O]+	244.94971	135.0
[M+HCOO]-	306.95065	155.9
[M+CH3COO]-	320.96630	182.4
[M+Na-2H]-	282.92712	134.7
[M]+	261.95190	144.3
[M]-	261.95300	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe