Dtxsid60881317 (C16F34O4)

Structural Information

Molecular Formula

SMILES

C(C(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F

InChI

InChI=1S/C16F34O4/c17-1(18,7(27,28)29)11(39,40)51-5(25,15(47,48)53-13(43,44)3(21,22)9(33,34)35)6(26,52-12(41,42)2(19,20)8(30,31)32)16(49,50)54-14(45,46)4(23,24)10(36,37)38

InChIKey

SSSVHFOLCNGWKK-UHFFFAOYSA-N

Compound name

1,1,2,3,4,4-hexafluoro-1,2,3,4-tetrakis(1,1,2,2,3,3,3-heptafluoropropoxy)butane

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]+	902.932626	218.1
[M+Na]+	924.914568	219.4
[M-H]-	900.918074	231.2
[M+NH4]+	919.959173	231.0
[M+K]+	940.888508	234.7
[M+H-H2O]+	884.922610	205.8
[M+HCOO]-	946.923551	233.0
[M+CH3COO]-	960.939201	273.1
[M+Na-2H]-	922.900016	221.6
[M]+	901.92480142	215.2
[M]-	901.92589858	215.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

902.932626

218.1

[M+Na]+

924.914568

219.4

[M-H]-

900.918074

231.2

[M+NH4]+

919.959173

231.0

[M+K]+

940.888508

234.7

[M+H-H2O]+

884.922610

205.8

[M+HCOO]-

946.923551

233.0

[M+CH3COO]-

960.939201

273.1

[M+Na-2H]-

922.900016

221.6

[M]+

901.92480142

215.2

[M]-

901.92589858

215.2

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

Dtxsid60881317

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe