CID 9747

372-69-0

Structural Information

Molecular Formula

C₆H₁₂ClFO₂S

SMILES

C(CCCS(=O)(=O)Cl)CCF

InChI

InChI=1S/C6H12ClFO2S/c7-11(9,10)6-4-2-1-3-5-8/h1-6H2

InChIKey

IZAKDMYFLAAAGQ-UHFFFAOYSA-N

Compound name

6-fluorohexane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.02306 Da
Monoisotopic Mass: 2.2
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]+	203.03034	137.1
[M+Na]+	225.01228	145.8
[M-H]-	201.01578	136.5
[M+NH4]+	220.05688	157.8
[M+K]+	240.98622	142.2
[M+H-H2O]+	185.02032	132.8
[M+HCOO]-	247.02126	149.3
[M+CH3COO]-	261.03691	180.2
[M+Na-2H]-	222.99773	140.4
[M]+	202.02251	142.0
[M]-	202.02361	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.