CID 5463864

Peroxide, acetyl cyclohexylsulfonyl

Structural Information

Molecular Formula

C₈H₁₄O₅S

SMILES

CC(=O)OOS(=O)(=O)C1CCCCC1

InChI

InChI=1S/C8H14O5S/c1-7(9)12-13-14(10,11)8-5-3-2-4-6-8/h8H,2-6H2,1H3

InChIKey

BSVQJWUUZCXSOL-UHFFFAOYSA-N

Compound name

cyclohexylsulfonyl ethaneperoxoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 10419
Patents: 222.0562 Da
Monoisotopic Mass: 1.5
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]+	223.06348	145.3
[M+Na]+	245.04542	150.6
[M-H]-	221.04892	148.2
[M+NH4]+	240.09002	163.6
[M+K]+	261.01936	150.3
[M+H-H2O]+	205.05346	139.9
[M+HCOO]-	267.05440	159.8
[M+CH3COO]-	281.07005	181.5
[M+Na-2H]-	243.03087	148.1
[M]+	222.05565	146.8
[M]-	222.05675	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe