CID 138394420

11:1:2 fluorotelomer betaine acid

Structural Information

Molecular Formula
C18H14F24NO2
SMILES
C[N+](C)(CCC(C(C(C(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)(F)F)(F)F)F)CC(=O)O
InChI
InChI=1S/C18H13F24NO2/c1-43(2,5-7(44)45)4-3-6(19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)16(36,37)17(38,39)18(40,41)42/h6H,3-5H2,1-2H3/p+1
InChIKey
AIGDLYRKICIOLY-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-(3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-tetracosafluorotetradecyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

732.06415 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.07143 227.9
[M+Na]+ 755.05337 231.2
[M-H]- 731.05687 242.1
[M+NH4]+ 750.09797 240.8
[M+K]+ 771.02731 244.4
[M+H-H2O]+ 715.06141 210.8
[M+HCOO]- 777.06235 242.6
[M+CH3COO]- 791.07800 264.7
[M+Na-2H]- 753.03882 225.6
[M]+ 732.06360 223.7
[M]- 732.06470 223.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.