Dtxsid301347260 (C26H39F13O11)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H39F13O11/c27-21(28,22(29,30)23(31,32)24(33,34)25(35,36)26(37,38)39)1-2-42-3-4-43-5-6-44-7-8-45-9-10-46-11-12-47-13-14-48-15-16-49-17-18-50-19-20(40)41/h1-19H2,(H,40,41)

InChIKey

SOQPUCLZDQHBSF-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]acetic acid

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]+	775.235726	230.6
[M+Na]+	797.217668	229.8
[M-H]-	773.221174	234.0
[M+NH4]+	792.262273	242.6
[M+K]+	813.191608	239.5
[M+H-H2O]+	757.225710	221.5
[M+HCOO]-	819.226651	241.9
[M+CH3COO]-	833.242301	276.0
[M+Na-2H]-	795.203116	218.7
[M]+	774.22790142	231.1
[M]-	774.22899858	231.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

775.235726

230.6

[M+Na]+

797.217668

229.8

[M-H]-

773.221174

234.0

[M+NH4]+

792.262273

242.6

[M+K]+

813.191608

239.5

[M+H-H2O]+

757.225710

221.5

[M+HCOO]-

819.226651

241.9

[M+CH3COO]-

833.242301

276.0

[M+Na-2H]-

795.203116

218.7

[M]+

774.22790142

231.1

[M]-

774.22899858

231.1

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

Dtxsid301347260

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe