CID 90471654

10:2 fluorotelomer sulfonamido propyl betaine

Structural Information

Molecular Formula
C19H20F21N2O4S
SMILES
C[N+](C)(CCCNS(=O)(=O)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/C19H19F21N2O4S/c1-42(2,8-9(43)44)6-3-5-41-47(45,46)7-4-10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)40/h41H,3-8H2,1-2H3/p+1
InChIKey
OLIPKLFYFITKBO-UHFFFAOYSA-O
Compound name
carboxymethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfonylamino)propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

6
Patents

771.0809 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 772.08818 230.6
[M+Na]+ 794.07012 232.6
[M-H]- 770.07362 245.0
[M+NH4]+ 789.11472 242.9
[M+K]+ 810.04406 245.3
[M+H-H2O]+ 754.07816 211.4
[M+HCOO]- 816.07910 246.0
[M+CH3COO]- 830.09475 268.0
[M+Na-2H]- 792.05557 226.0
[M]+ 771.08035 228.4
[M]- 771.08145 228.4
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.