CID 23000687

Cycloheptylmethanesulfonyl chloride

Structural Information

Molecular Formula

C₈H₁₅ClO₂S

SMILES

C1CCCC(CC1)CS(=O)(=O)Cl

InChI

InChI=1S/C8H15ClO2S/c9-12(10,11)7-8-5-3-1-2-4-6-8/h8H,1-7H2

InChIKey

PFVAQJVYDIIETE-UHFFFAOYSA-N

Compound name

cycloheptylmethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 210.04813 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]+	211.05541	140.0
[M+Na]+	233.03735	144.4
[M-H]-	209.04085	143.7
[M+NH4]+	228.08195	158.4
[M+K]+	249.01129	145.7
[M+H-H2O]+	193.04539	135.7
[M+HCOO]-	255.04633	149.7
[M+CH3COO]-	269.06198	181.8
[M+Na-2H]-	231.02280	142.3
[M]+	210.04758	136.7
[M]-	210.04868	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe