CID 84504

1-hexanesulfonyl chloride

Structural Information

Molecular Formula

C₆H₁₃ClO₂S

SMILES

CCCCCCS(=O)(=O)Cl

InChI

InChI=1S/C6H13ClO2S/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3

InChIKey

AEHJDQSLTMFLQO-UHFFFAOYSA-N

Compound name

hexane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 544
Patents: 184.03249 Da
Monoisotopic Mass: 2.7
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]+	185.039766	135.6
[M+Na]+	207.021708	144.3
[M-H]-	183.025214	136.4
[M+NH4]+	202.066313	157.1
[M+K]+	222.995648	141.1
[M+H-H2O]+	167.029750	132.3
[M+HCOO]-	229.030691	148.8
[M+CH3COO]-	243.046341	177.5
[M+Na-2H]-	205.007156	139.3
[M]+	184.03194142	141.6
[M]-	184.03303858	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe