PubChemLite - Dtxsid801348994 (C26H39F13O10)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCOCCOCC=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C26H39F13O10/c27-21(28,22(29,30)23(31,32)24(33,34)25(35,36)26(37,38)39)1-3-41-5-7-43-9-11-45-13-15-47-17-19-49-20-18-48-16-14-46-12-10-44-8-6-42-4-2-40/h2H,1,3-20H2

InChIKey

ASUGEOYGRQXSFC-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetaldehyde

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]+	759.24088	227.1
[M+Na]+	781.22282	227.2
[M-H]-	757.22632	228.9
[M+NH4]+	776.26742	239.1
[M+K]+	797.19676	236.5
[M+H-H2O]+	741.23086	218.5
[M+HCOO]-	803.23180	242.3
[M+CH3COO]-	817.24745	276.0
[M+Na-2H]-	779.20827	215.8
[M]+	758.23305	227.9
[M]-	758.23415	227.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

759.24088

227.1

[M+Na]+

781.22282

227.2

[M-H]-

757.22632

228.9

[M+NH4]+

776.26742

239.1

[M+K]+

797.19676

236.5

[M+H-H2O]+

741.23086

218.5

[M+HCOO]-

803.23180

242.3

[M+CH3COO]-

817.24745

276.0

[M+Na-2H]-

779.20827

215.8

[M]+

758.23305

227.9

[M]-

758.23415

227.9

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

Dtxsid801348994

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe