CID 138394380

10:2 hydrogen-substituted fluorotelomer betaine

Structural Information

Molecular Formula
C16H14F20NO2
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)CC(=O)O
InChI
InChI=1S/C16H13F20NO2/c1-37(2,5-7(38)39)4-3-6(17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)36/h6H,3-5H2,1-2H3/p+1
InChIKey
YKRJQSGAXINGGE-UHFFFAOYSA-O
Compound name
carboxymethyl-(3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-icosafluorododecyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

632.0705 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.07778 153.4
[M+Na]+ 655.05972 153.4
[M+NH4]+ 650.10432 153.5
[M+K]+ 671.03366 153.5
[M-H]- 631.06322 153.4
[M+Na-2H]- 653.04517 153.4
[M]+ 632.06995 153.4
[M]- 632.07105 153.4
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.