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: 153
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]+	218.93006	126.6
[M+Na]+	240.91200	137.5
[M-H]-	216.91550	121.7
[M+NH4]+	235.95660	146.2
[M+K]+	256.88594	134.2
[M+H-H2O]+	200.92004	120.0
[M+HCOO]-	262.92098	132.9
[M+CH3COO]-	276.93663	179.8
[M+Na-2H]-	238.89745	131.6
[M]+	217.92223	123.7
[M]-	217.92333	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe