PubChemLite - Perfluoroheptane sulfonic anhydride (C14F30O5S2)

Structural Information

Molecular Formula

SMILES

C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)OS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C14F30O5S2/c15-1(16,3(19,20)7(27,28)11(35,36)37)5(23,24)9(31,32)13(41,42)50(45,46)49-51(47,48)14(43,44)10(33,34)6(25,26)2(17,18)4(21,22)8(29,30)12(38,39)40

InChIKey

PAEHHCFUJDYELS-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonate

Related CIDs

2D Structure

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]+	882.87808	226.2
[M+Na]+	904.86002	226.1
[M-H]-	880.86352	238.6
[M+NH4]+	899.90462	239.7
[M+K]+	920.83396	241.9
[M+H-H2O]+	864.86806	212.4
[M+HCOO]-	926.86900	241.9
[M+CH3COO]-	940.88465	269.0
[M+Na-2H]-	902.84547	227.3
[M]+	881.87025	228.6
[M]-	881.87135	228.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

882.87808

226.2

[M+Na]+

904.86002

226.1

[M-H]-

880.86352

238.6

[M+NH4]+

899.90462

239.7

[M+K]+

920.83396

241.9

[M+H-H2O]+

864.86806

212.4

[M+HCOO]-

926.86900

241.9

[M+CH3COO]-

940.88465

269.0

[M+Na-2H]-

902.84547

227.3

[M]+

881.87025

228.6

[M]-

881.87135

228.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Perfluoroheptane sulfonic anhydride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe