PubChemLite - Heptaethylene glycol perfluoro-2-isopropyl-1,3-dimethylbut-1-enyl methyl ether (C24H31F17O8)

Structural Information

Molecular Formula

SMILES

COCCOCCOCCOCCOCCOCCOCCOC(=C(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F

InChI

InChI=1S/C24H31F17O8/c1-42-2-3-43-4-5-44-6-7-45-8-9-46-10-11-47-12-13-48-14-15-49-17(20(27,28)29)16(18(25,21(30,31)32)22(33,34)35)19(26,23(36,37)38)24(39,40)41/h2-15H2,1H3

InChIKey

AJMIZAKQWZPWEH-UHFFFAOYSA-N

Compound name

1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(trifluoromethyl)pent-2-ene

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]+	771.18202	225.0
[M+Na]+	793.16396	227.1
[M-H]-	769.16746	231.5
[M+NH4]+	788.20856	239.5
[M+K]+	809.13790	238.5
[M+H-H2O]+	753.17200	216.3
[M+HCOO]-	815.17294	236.9
[M+CH3COO]-	829.18859	274.1
[M+Na-2H]-	791.14941	217.2
[M]+	770.17419	223.4
[M]-	770.17529	223.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

771.18202

225.0

[M+Na]+

793.16396

227.1

[M-H]-

769.16746

231.5

[M+NH4]+

788.20856

239.5

[M+K]+

809.13790

238.5

[M+H-H2O]+

753.17200

216.3

[M+HCOO]-

815.17294

236.9

[M+CH3COO]-

829.18859

274.1

[M+Na-2H]-

791.14941

217.2

[M]+

770.17419

223.4

[M]-

770.17529

223.4

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

Heptaethylene glycol perfluoro-2-isopropyl-1,3-dimethylbut-1-enyl methyl ether

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe