PubChemLite - 51445-02-4 (C12H2F23NO4)

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)N

InChI

InChI=1S/C12H2F23NO4/c13-2(1(36)37,6(18,19)20)38-11(32,33)4(16,8(24,25)26)40-12(34,35)5(17,9(27,28)29)39-10(30,31)3(14,15)7(21,22)23/h(H2,36,37)

InChIKey

YLJKMIXDTZLFEB-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]propanamide

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]+	661.96898	180.6
[M+Na]+	683.95092	185.1
[M-H]-	659.95442	194.5
[M+NH4]+	678.99552	193.3
[M+K]+	699.92486	196.4
[M+H-H2O]+	643.95896	167.8
[M+HCOO]-	705.95990	197.1
[M+CH3COO]-	719.97555	257.2
[M+Na-2H]-	681.93637	181.8
[M]+	660.96115	177.4
[M]-	660.96225	177.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

661.96898

180.6

[M+Na]+

683.95092

185.1

[M-H]-

659.95442

194.5

[M+NH4]+

678.99552

193.3

[M+K]+

699.92486

196.4

[M+H-H2O]+

643.95896

167.8

[M+HCOO]-

705.95990

197.1

[M+CH3COO]-

719.97555

257.2

[M+Na-2H]-

681.93637

181.8

[M]+

660.96115

177.4

[M]-

660.96225

177.4

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

51445-02-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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