CID 69805

762-56-1

Structural Information

Molecular Formula

C₂H₄ClF₅S

SMILES

C(CCl)S(F)(F)(F)(F)F

InChI

InChI=1S/C2H4ClF5S/c3-1-2-9(4,5,6,7)8/h1-2H2

InChIKey

OUNCBGSVCDFKHS-UHFFFAOYSA-N

Compound name

2-chloroethyl(pentafluoro)-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.96423 Da
Monoisotopic Mass: 4.2
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]+	190.97151	115.3
[M+Na]+	212.95345	126.2
[M-H]-	188.95695	110.4
[M+NH4]+	207.99805	136.6
[M+K]+	228.92739	122.6
[M+H-H2O]+	172.96149	109.1
[M+HCOO]-	234.96243	124.3
[M+CH3COO]-	248.97808	178.2
[M+Na-2H]-	210.93890	116.9
[M]+	189.96368	112.3
[M]-	189.96478	112.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe