CID 138394376

8:2 hydrogen-substituted fluorotelomer betaine

Structural Information

Molecular Formula
C14H14F16NO2
SMILES
C[N+](C)(CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)CC(=O)O
InChI
InChI=1S/C14H13F16NO2/c1-31(2,5-7(32)33)4-3-6(15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)30/h6H,3-5H2,1-2H3/p+1
InChIKey
DYECIQLCZJYVHI-UHFFFAOYSA-O
Compound name
carboxymethyl-(3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodecyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

6
Patents

532.0769 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.08418 196.6
[M+Na]+ 555.06612 202.4
[M-H]- 531.06962 206.9
[M+NH4]+ 550.11072 207.0
[M+K]+ 571.04006 209.3
[M+H-H2O]+ 515.07416 182.0
[M+HCOO]- 577.07510 213.6
[M+CH3COO]- 591.09075 239.8
[M+Na-2H]- 553.05157 193.2
[M]+ 532.07635 192.5
[M]- 532.07745 192.5
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.