CID 139594233

Me-pfsas(n5)

Structural Information

Molecular Formula

C₉HF₁₉O₄S

SMILES

C(C(OC(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F

InChI

InChI=1S/C9HF19O4S/c10-1(5(17,18)19,6(20,21)22)7(23,24)32-8(25,26)3(13,14)2(11,12)4(15,16)9(27,28)33(29,30)31/h(H,29,30,31)

InChIKey

ATRBTZDPCWXQJC-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5-decafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]pentane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 565.9292 Da
Monoisotopic Mass: 5.7
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]+	566.936476	171.0
[M+Na]+	588.918418	173.4
[M-H]-	564.921924	179.8
[M+NH4]+	583.963023	181.3
[M+K]+	604.892358	183.6
[M+H-H2O]+	548.926460	158.2
[M+HCOO]-	610.927401	191.0
[M+CH3COO]-	624.943051	239.4
[M+Na-2H]-	586.903866	170.2
[M]+	565.92865142	172.4
[M]-	565.92974858	172.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.