PubChemLite - 93776-08-0 (C30H45F17O11)

Structural Information

Molecular Formula

SMILES

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

InChI

InChI=1S/C30H45F17O11/c1-49-2-3-50-4-5-51-6-7-52-8-9-53-10-11-54-12-13-55-14-15-56-16-17-57-18-19-58-21-22(48)20-23(31,32)24(33,34)25(35,36)26(37,38)27(39,40)28(41,42)29(43,44)30(45,46)47/h22,48H,2-21H2,1H3

InChIKey

WEOGRPHIYDSCLF-UHFFFAOYSA-N

Compound name

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]undecan-2-ol

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]+	905.27632	249.0
[M+Na]+	927.25826	246.5
[M-H]-	903.26176	254.3
[M+NH4]+	922.30286	262.6
[M+K]+	943.23220	261.2
[M+H-H2O]+	887.26630	237.1
[M+HCOO]-	949.26724	258.3
[M+CH3COO]-	963.28289	292.1
[M+Na-2H]-	925.24371	237.0
[M]+	904.26849	250.9
[M]-	904.26959	250.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

905.27632

249.0

[M+Na]+

927.25826

246.5

[M-H]-

903.26176

254.3

[M+NH4]+

922.30286

262.6

[M+K]+

943.23220

261.2

[M+H-H2O]+

887.26630

237.1

[M+HCOO]-

949.26724

258.3

[M+CH3COO]-

963.28289

292.1

[M+Na-2H]-

925.24371

237.0

[M]+

904.26849

250.9

[M]-

904.26959

250.9

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

93776-08-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe