CID 21973190

212190-21-1

Structural Information

Molecular Formula

C₅H₆ClF₅O₂S

SMILES

C(CC(C(F)(F)F)(F)F)CS(=O)(=O)Cl

InChI

InChI=1S/C5H6ClF5O2S/c6-14(12,13)3-1-2-4(7,8)5(9,10)11/h1-3H2

InChIKey

HIBCLNVAFPUNEA-UHFFFAOYSA-N

Compound name

4,4,5,5,5-pentafluoropentane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 259.96973 Da
Monoisotopic Mass: 2.9
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]+	260.97701	140.5
[M+Na]+	282.95895	150.2
[M-H]-	258.96245	135.1
[M+NH4]+	278.00355	158.5
[M+K]+	298.93289	146.1
[M+H-H2O]+	242.96699	133.3
[M+HCOO]-	304.96793	145.9
[M+CH3COO]-	318.98358	188.7
[M+Na-2H]-	280.94440	144.1
[M]+	259.96918	138.7
[M]-	259.97028	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe