CID 57352366

Hexane-2-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₁₃ClO₂S

SMILES

CCCCC(C)S(=O)(=O)Cl

InChI

InChI=1S/C6H13ClO2S/c1-3-4-5-6(2)10(7,8)9/h6H,3-5H2,1-2H3

InChIKey

TXMDDAIWDUEVBS-UHFFFAOYSA-N

Compound name

hexane-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 184.03249 Da
Monoisotopic Mass: 2.6
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]+	185.03977	139.3
[M+Na]+	207.02171	149.3
[M+NH4]+	202.06631	147.1
[M+K]+	222.99565	142.3
[M-H]-	183.02521	137.7
[M+Na-2H]-	205.00716	141.7
[M]+	184.03194	140.9
[M]-	184.03304	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe