CID 12574726

Chloro-perfluoroethane sulfonate

Structural Information

Molecular Formula

C₂HClF₄O₃S

SMILES

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

InChI

InChI=1S/C2HClF4O3S/c3-1(4,2(5,6)7)11(8,9)10/h(H,8,9,10)

InChIKey

XYMXFNHFPLQXTR-UHFFFAOYSA-N

Compound name

1-chloro-1,2,2,2-tetrafluoroethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 215.92711 Da
Monoisotopic Mass: 1.2
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]+	216.93439	127.9
[M+Na]+	238.91633	138.2
[M-H]-	214.91983	122.8
[M+NH4]+	233.96093	146.8
[M+K]+	254.89027	134.8
[M+H-H2O]+	198.92437	122.4
[M+HCOO]-	260.92531	134.0
[M+CH3COO]-	274.94096	176.2
[M+Na-2H]-	236.90178	133.3
[M]+	215.92656	125.8
[M]-	215.92766	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe