CID 139594927

13:3 fluorotelomer betaine

Structural Information

Molecular Formula
C20H15F27NO2
SMILES
C[N+](C)(CCCC(C(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)F)(F)F)CC(=O)O
InChI
InChI=1S/C20H14F27NO2/c1-48(2,6-7(49)50)5-3-4-8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)14(33,34)15(35,36)16(37,38)17(39,40)18(41,42)19(43,44)20(45,46)47/h3-6H2,1-2H3/p+1
InChIKey
FLRPYJKROJWYBH-UHFFFAOYSA-O
Compound name
carboxymethyl-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptacosafluorohexadecyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

814.06714 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 815.074416 238.4
[M+Na]+ 837.056358 240.5
[M-H]- 813.059864 252.9
[M+NH4]+ 832.100963 251.0
[M+K]+ 853.030298 255.1
[M+H-H2O]+ 797.064400 220.6
[M+HCOO]- 859.065341 253.7
[M+CH3COO]- 873.080991 271.2
[M+Na-2H]- 835.041806 236.7
[M]+ 814.06659142 234.7
[M]- 814.06768858 234.7
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.