PubChemLite - 56347-79-6 (C12F22O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C12F22O6/c13-3(7(19,20)21,39-11(31,32)5(15,16)9(25,26)27)1(35)37-38-2(36)4(14,8(22,23)24)40-12(33,34)6(17,18)10(28,29)30

InChIKey

UHASMEVRHWRZKF-UHFFFAOYSA-N

Compound name

[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl] 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propaneperoxoate

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]+	658.94168	187.2
[M+Na]+	680.92362	191.5
[M-H]-	656.92712	201.4
[M+NH4]+	675.96822	203.1
[M+K]+	696.89756	202.5
[M+H-H2O]+	640.93166	176.8
[M+HCOO]-	702.93260	204.1
[M+CH3COO]-	716.94825	252.9
[M+Na-2H]-	678.90907	187.7
[M]+	657.93385	186.1
[M]-	657.93495	186.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

658.94168

187.2

[M+Na]+

680.92362

191.5

[M-H]-

656.92712

201.4

[M+NH4]+

675.96822

203.1

[M+K]+

696.89756

202.5

[M+H-H2O]+

640.93166

176.8

[M+HCOO]-

702.93260

204.1

[M+CH3COO]-

716.94825

252.9

[M+Na-2H]-

678.90907

187.7

[M]+

657.93385

186.1

[M]-

657.93495

186.1

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

56347-79-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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