CID 105459763

3,3-difluoropentane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₅H₉ClF₂O₂S

SMILES

CCC(CCS(=O)(=O)Cl)(F)F

InChI

InChI=1S/C5H9ClF2O2S/c1-2-5(7,8)3-4-11(6,9)10/h2-4H2,1H3

InChIKey

OPKAXIDAKLUDDG-UHFFFAOYSA-N

Compound name

3,3-difluoropentane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.99799 Da
Monoisotopic Mass: 2.3
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]+	207.005266	134.7
[M+Na]+	228.987208	144.1
[M-H]-	204.990714	133.1
[M+NH4]+	224.031813	155.2
[M+K]+	244.961148	140.7
[M+H-H2O]+	188.995250	130.0
[M+HCOO]-	250.996191	144.7
[M+CH3COO]-	265.011841	180.3
[M+Na-2H]-	226.972656	138.8
[M]+	205.99744142	137.4
[M]-	205.99853858	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.