PubChemLite - N:3 ftbs n=4 (C16H15F19NO2)

Structural Information

Molecular Formula

SMILES

C[N+](C)(CCCC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)O

InChI

InChI=1S/C16H14F19NO2/c1-36(2,6-7(37)38)5-3-4-8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)35/h3-6H2,1-2H3/p+1

InChIKey

RFIXIVBTEIYSPF-UHFFFAOYSA-O

Compound name

carboxymethyl-dimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-nonadecafluorododecyl)azanium

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]+	615.08724	208.6
[M+Na]+	637.06918	212.8
[M-H]-	613.07268	220.2
[M+NH4]+	632.11378	219.5
[M+K]+	653.04312	222.7
[M+H-H2O]+	597.07722	191.6
[M+HCOO]-	659.07816	226.8
[M+CH3COO]-	673.09381	251.4
[M+Na-2H]-	635.05463	205.2
[M]+	614.07941	205.1
[M]-	614.08051	205.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

615.08724

208.6

[M+Na]+

637.06918

212.8

[M-H]-

613.07268

220.2

[M+NH4]+

632.11378

219.5

[M+K]+

653.04312

222.7

[M+H-H2O]+

597.07722

191.6

[M+HCOO]-

659.07816

226.8

[M+CH3COO]-

673.09381

251.4

[M+Na-2H]-

635.05463

205.2

[M]+

614.07941

205.1

[M]-

614.08051

205.1

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

N:3 ftbs n=4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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