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]+	690.964276	200.2
[M+Na]+	712.946218	205.2
[M-H]-	688.949724	214.2
[M+NH4]+	707.990823	216.5
[M+K]+	728.920158	218.0
[M+H-H2O]+	672.954260	190.5
[M+HCOO]-	734.955201	211.9
[M+CH3COO]-	748.970851	260.5
[M+Na-2H]-	710.931666	201.0
[M]+	689.95645142	197.1
[M]-	689.95754858	197.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

690.964276

200.2

[M+Na]+

712.946218

205.2

[M-H]-

688.949724

214.2

[M+NH4]+

707.990823

216.5

[M+K]+

728.920158

218.0

[M+H-H2O]+

672.954260

190.5

[M+HCOO]-

734.955201

211.9

[M+CH3COO]-

748.970851

260.5

[M+Na-2H]-

710.931666

201.0

[M]+

689.95645142

197.1

[M]-

689.95754858

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

Patent stripe