CID 155820531

5,5-difluorohexane-1-sulfonylchloride

Structural Information

Molecular Formula

C₆H₁₁ClF₂O₂S

SMILES

CC(CCCCS(=O)(=O)Cl)(F)F

InChI

InChI=1S/C6H11ClF2O2S/c1-6(8,9)4-2-3-5-12(7,10)11/h2-5H2,1H3

InChIKey

MKWQKCYLXLSEPY-UHFFFAOYSA-N

Compound name

5,5-difluorohexane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 220.01364 Da
Monoisotopic Mass: 2.5
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]+	221.020916	139.3
[M+Na]+	243.002858	148.3
[M-H]-	219.006364	137.5
[M+NH4]+	238.047463	159.2
[M+K]+	258.976798	144.6
[M+H-H2O]+	203.010900	134.4
[M+HCOO]-	265.011841	148.9
[M+CH3COO]-	279.027491	183.3
[M+Na-2H]-	240.988306	142.9
[M]+	220.01309142	142.4
[M]-	220.01418858	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.