PubChemLite - 3,6,9-trioxadodecanoyl fluoride, tetradecafluoro-2,5,8-tris(trifluoromethyl)- (C12F24O4)

Structural Information

Molecular Formula

SMILES

C(=O)(C(C(F)(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)F

InChI

InChI=1S/C12F24O4/c13-1(37)2(14,6(19,20)21)38-11(33,34)4(17,8(25,26)27)40-12(35,36)5(18,9(28,29)30)39-10(31,32)3(15,16)7(22,23)24

InChIKey

IIYQDKPSLAINNX-UHFFFAOYSA-N

Compound name

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propanoyl fluoride

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]+	664.94863	185.6
[M+Na]+	686.93057	189.4
[M-H]-	662.93407	197.9
[M+NH4]+	681.97517	199.4
[M+K]+	702.90451	201.7
[M+H-H2O]+	646.93861	174.0
[M+HCOO]-	708.93955	203.4
[M+CH3COO]-	722.95520	255.8
[M+Na-2H]-	684.91602	186.9
[M]+	663.94080	184.1
[M]-	663.94190	184.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

664.94863

185.6

[M+Na]+

686.93057

189.4

[M-H]-

662.93407

197.9

[M+NH4]+

681.97517

199.4

[M+K]+

702.90451

201.7

[M+H-H2O]+

646.93861

174.0

[M+HCOO]-

708.93955

203.4

[M+CH3COO]-

722.95520

255.8

[M+Na-2H]-

684.91602

186.9

[M]+

663.94080

184.1

[M]-

663.94190

184.1

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

3,6,9-trioxadodecanoyl fluoride, tetradecafluoro-2,5,8-tris(trifluoromethyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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