CID 139596056

6:4 fluorotelomer betaine

Structural Information

Molecular Formula
C14H17F13NO2
SMILES
C[N+](C)(CCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)O
InChI
InChI=1S/C14H16F13NO2/c1-28(2,7-8(29)30)6-4-3-5-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h3-7H2,1-2H3/p+1
InChIKey
MJLPBBJRGAKZKE-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

478.10516 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.11244 189.8
[M+Na]+ 501.09438 195.8
[M-H]- 477.09788 197.1
[M+NH4]+ 496.13898 197.8
[M+K]+ 517.06832 200.1
[M+H-H2O]+ 461.10242 175.5
[M+HCOO]- 523.10336 209.3
[M+CH3COO]- 537.11901 231.4
[M+Na-2H]- 499.07983 185.3
[M]+ 478.10461 186.6
[M]- 478.10571 186.6
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.