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
2
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 212.4
[M+Na]+ 655.05972 216.8
[M-H]- 631.06322 224.9
[M+NH4]+ 650.10432 224.3
[M+K]+ 671.03366 227.3
[M+H-H2O]+ 615.06776 196.1
[M+HCOO]- 677.06870 228.3
[M+CH3COO]- 691.08435 253.7
[M+Na-2H]- 653.04517 209.4
[M]+ 632.06995 208.1
[M]- 632.07105 208.1
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.