PubChemLite - 2599-84-0 (C11F22O3)

Structural Information

Molecular Formula

C₁₁F₂₂O₃

SMILES

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

InChI

InChI=1S/C11F22O3/c12-1(13)2(14)34-10(30,31)4(17,7(22,23)24)36-11(32,33)5(18,8(25,26)27)35-9(28,29)3(15,16)6(19,20)21

InChIKey

GKKVHBTVWDBEIN-UHFFFAOYSA-N

Compound name

1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-3-(1,2,2-trifluoroethenoxy)propane

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]+	598.95688	177.6
[M+Na]+	620.93882	182.9
[M-H]-	596.94232	188.1
[M+NH4]+	615.98342	190.7
[M+K]+	636.91276	193.3
[M+H-H2O]+	580.94686	168.1
[M+HCOO]-	642.94780	193.9
[M+CH3COO]-	656.96345	248.6
[M+Na-2H]-	618.92427	178.7
[M]+	597.94905	174.4
[M]-	597.95015	174.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

598.95688

177.6

[M+Na]+

620.93882

182.9

[M-H]-

596.94232

188.1

[M+NH4]+

615.98342

190.7

[M+K]+

636.91276

193.3

[M+H-H2O]+

580.94686

168.1

[M+HCOO]-

642.94780

193.9

[M+CH3COO]-

656.96345

248.6

[M+Na-2H]-

618.92427

178.7

[M]+

597.94905

174.4

[M]-

597.95015

174.4

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

2599-84-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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