PubChemLite - Bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl) peroxide (C14H2F24O4)

Structural Information

Molecular Formula

SMILES

C(C(C(C(C(C(C(=O)OOC(=O)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)F)(F)F

InChI

InChI=1S/C14H2F24O4/c15-1(16)5(19,20)9(27,28)13(35,36)11(31,32)7(23,24)3(39)41-42-4(40)8(25,26)12(33,34)14(37,38)10(29,30)6(21,22)2(17)18/h1-2H

InChIKey

RWRPNOCBTYVGOR-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptaneperoxoate

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]+	690.96428	200.2
[M+Na]+	712.94622	205.2
[M-H]-	688.94972	214.2
[M+NH4]+	707.99082	216.5
[M+K]+	728.92016	218.0
[M+H-H2O]+	672.95426	190.5
[M+HCOO]-	734.95520	211.9
[M+CH3COO]-	748.97085	260.5
[M+Na-2H]-	710.93167	201.0
[M]+	689.95645	197.1
[M]-	689.95755	197.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

690.96428

200.2

[M+Na]+

712.94622

205.2

[M-H]-

688.94972

214.2

[M+NH4]+

707.99082

216.5

[M+K]+

728.92016

218.0

[M+H-H2O]+

672.95426

190.5

[M+HCOO]-

734.95520

211.9

[M+CH3COO]-

748.97085

260.5

[M+Na-2H]-

710.93167

201.0

[M]+

689.95645

197.1

[M]-

689.95755

197.1

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

Bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl) peroxide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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