PubChemLite - 1,1,1,2,2,3,3,5,6,6,8,9,11,11,12,14,14,15,15,16,16,16-docosafluoro-5,8,9,12-tetrakis(trifluoromethyl)-4,7,10,13-tetraoxahexadecane (C16F34O4)

Structural Information

Molecular Formula

SMILES

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

InChI

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

InChIKey

RBZLEAJAUHBDRO-UHFFFAOYSA-N

Compound name

1,1,1,2,3,4,4,4-octafluoro-2,3-bis[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]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]+	902.93263	152.5
[M+Na]+	924.91457	152.5
[M+NH4]+	919.95917	152.5
[M+K]+	940.88851	152.5
[M-H]-	900.91807	152.5
[M+Na-2H]-	922.90002	152.5
[M]+	901.92480	152.5
[M]-	901.92590	152.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

902.93263

152.5

[M+Na]+

924.91457

152.5

[M+NH4]+

919.95917

152.5

[M+K]+

940.88851

152.5

[M-H]-

900.91807

152.5

[M+Na-2H]-

922.90002

152.5

[M]+

901.92480

152.5

[M]-

901.92590

152.5

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

1,1,1,2,2,3,3,5,6,6,8,9,11,11,12,14,14,15,15,16,16,16-docosafluoro-5,8,9,12-tetrakis(trifluoromethyl)-4,7,10,13-tetraoxahexadecane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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