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]+ 815.07442 238.4
[M+Na]+ 837.05636 240.5
[M-H]- 813.05986 252.9
[M+NH4]+ 832.10096 251.0
[M+K]+ 853.03030 255.1
[M+H-H2O]+ 797.06440 220.6
[M+HCOO]- 859.06534 253.7
[M+CH3COO]- 873.08099 271.2
[M+Na-2H]- 835.04181 236.7
[M]+ 814.06659 234.7
[M]- 814.06769 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.