PubChemLite - Hopas n=4 m=8 (C24H33F17O8)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCOCCOCCO)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C24H33F17O8/c25-17(26,18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)23(37,38)24(39,40)41)1-3-43-5-7-45-9-11-47-13-15-49-16-14-48-12-10-46-8-6-44-4-2-42/h42H,1-16H2

InChIKey

JTPAFKBUCLDDHE-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

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]+	773.19765	217.8
[M+Na]+	795.17959	217.3
[M-H]-	771.18309	222.2
[M+NH4]+	790.22419	228.5
[M+K]+	811.15353	229.7
[M+H-H2O]+	755.18763	205.8
[M+HCOO]-	817.18857	232.1
[M+CH3COO]-	831.20422	274.7
[M+Na-2H]-	793.16504	209.0
[M]+	772.18982	217.2
[M]-	772.19092	217.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

773.19765

217.8

[M+Na]+

795.17959

217.3

[M-H]-

771.18309

222.2

[M+NH4]+

790.22419

228.5

[M+K]+

811.15353

229.7

[M+H-H2O]+

755.18763

205.8

[M+HCOO]-

817.18857

232.1

[M+CH3COO]-

831.20422

274.7

[M+Na-2H]-

793.16504

209.0

[M]+

772.18982

217.2

[M]-

772.19092

217.2

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

Hopas n=4 m=8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe