CID 139595853

8:4 fluorotelomer betaine

Structural Information

Molecular Formula

C₁₆H₁₇F₁₇NO₂

SMILES

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

InChI

InChI=1S/C16H16F17NO2/c1-34(2,7-8(35)36)6-4-3-5-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h3-7H2,1-2H3/p+1

InChIKey

LAETYYBCEXXABA-UHFFFAOYSA-O

Compound name

carboxymethyl-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecyl)-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 578.09875 Da
Monoisotopic Mass: 6.8
XlogP (predicted)

Profile

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]+	579.106026	204.5
[M+Na]+	601.087968	209.2
[M-H]-	577.091474	214.7
[M+NH4]+	596.132573	214.6
[M+K]+	617.061908	217.7
[M+H-H2O]+	561.096010	188.1
[M+HCOO]-	623.096951	223.0
[M+CH3COO]-	637.112601	246.9
[M+Na-2H]-	599.073416	200.4
[M]+	578.09820142	201.0
[M]-	578.09929858	201.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.