CID 139594907

10:2 fluorotelomer betaine

Structural Information

Molecular Formula
C16H13F21NO2
SMILES
C[N+](C)(CCC(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)CC(=O)O
InChI
InChI=1S/C16H12F21NO2/c1-38(2,5-6(39)40)4-3-7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)37/h3-5H2,1-2H3/p+1
InChIKey
FJXADJOUUBPICV-UHFFFAOYSA-O
Compound name
carboxymethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

650.0611 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.06838 212.8
[M+Na]+ 673.05032 216.6
[M-H]- 649.05382 225.7
[M+NH4]+ 668.09492 224.4
[M+K]+ 689.02426 227.8
[M+H-H2O]+ 633.05836 195.5
[M+HCOO]- 695.05930 230.7
[M+CH3COO]- 709.07495 255.4
[M+Na-2H]- 671.03577 210.2
[M]+ 650.06055 209.4
[M]- 650.06165 209.4
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.