CID 162341499

2167336-19-6

Structural Information

Molecular Formula

C₅H₇ClO₂S

SMILES

C1C2CC1(C2)S(=O)(=O)Cl

InChI

InChI=1S/C5H7ClO2S/c6-9(7,8)5-1-4(2-5)3-5/h4H,1-3H2

InChIKey

DREIRKDGKQBTKF-UHFFFAOYSA-N

Compound name

bicyclo[1.1.1]pentane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 165.98553 Da
Monoisotopic Mass: 1.1
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]+	166.99281	126.6
[M+Na]+	188.97475	124.5
[M+NH4]+	184.01935	126.3
[M+K]+	204.94869	123.3
[M-H]-	164.97825	119.3
[M+Na-2H]-	186.96020	123.9
[M]+	165.98498	122.1
[M]-	165.98608	122.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.