CID 324968

Pentafluoroethylsulfonyl chloride

Structural Information

Molecular Formula

C₂ClF₅O₂S

SMILES

C(C(F)(F)S(=O)(=O)Cl)(F)(F)F

InChI

InChI=1S/C2ClF5O2S/c3-11(9,10)2(7,8)1(4,5)6

InChIKey

VQHMMOSXFHZLPI-UHFFFAOYSA-N

Compound name

1,1,2,2,2-pentafluoroethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 123
Patents: 217.92278 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]+	218.930056	126.6
[M+Na]+	240.911998	137.5
[M-H]-	216.915504	121.7
[M+NH4]+	235.956603	146.2
[M+K]+	256.885938	134.2
[M+H-H2O]+	200.920040	120.0
[M+HCOO]-	262.920981	132.9
[M+CH3COO]-	276.936631	179.8
[M+Na-2H]-	238.897446	131.6
[M]+	217.92223142	123.7
[M]-	217.92332858	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe