CID 146155348

Cubane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₈H₇ClO₂S

SMILES

C12C3C4C1C5C2C3C45S(=O)(=O)Cl

InChI

InChI=1S/C8H7ClO2S/c9-12(10,11)8-5-2-1-3(5)7(8)4(1)6(2)8/h1-7H

InChIKey

XAIYHEXIBOSZTE-UHFFFAOYSA-N

Compound name

cubane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.98553 Da
Monoisotopic Mass: 0.9
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]+	202.99281	190.7
[M+Na]+	224.97475	190.8
[M-H]-	200.97825	193.8
[M+NH4]+	220.01935	186.3
[M+K]+	240.94869	194.9
[M+H-H2O]+	184.98279	178.5
[M+HCOO]-	246.98373	190.0
[M+CH3COO]-	260.99938	259.7
[M+Na-2H]-	222.96020	186.6
[M]+	201.98498	211.4
[M]-	201.98608	211.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.