CID 23237619

26039-34-9

Structural Information

Molecular Formula

C₂H₄ClF₅OS

SMILES

C(CCl)OS(F)(F)(F)(F)F

InChI

InChI=1S/C2H4ClF5OS/c3-1-2-9-10(4,5,6,7)8/h1-2H2

InChIKey

KNAVTGAJQKHZAS-UHFFFAOYSA-N

Compound name

2-chloroethoxy(pentafluoro)-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 205.95915 Da
Monoisotopic Mass: 4.3
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]+	206.96643	118.4
[M+Na]+	228.94837	129.3
[M-H]-	204.95187	113.4
[M+NH4]+	223.99297	139.0
[M+K]+	244.92231	126.0
[M+H-H2O]+	188.95641	112.0
[M+HCOO]-	250.95735	127.7
[M+CH3COO]-	264.97300	180.0
[M+Na-2H]-	226.93382	120.1
[M]+	205.95860	116.8
[M]-	205.95970	116.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe