CID 138394402

10:2 fluorotelomer thioether amido sulfonic acid

Structural Information

Molecular Formula
C19H18F21NO4S2
SMILES
CC(C)(CS(=O)(=O)O)NC(=O)CCSCCC(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
InChI
InChI=1S/C19H18F21NO4S2/c1-9(2,7-47(43,44)45)41-8(42)3-5-46-6-4-10(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/h3-7H2,1-2H3,(H,41,42)(H,43,44,45)
InChIKey
VSQYJKSCQUHLGK-UHFFFAOYSA-N
Compound name
2-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)propanoylamino]-2-methylpropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

787.0342 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 788.04148 153.1
[M+Na]+ 810.02342 153.1
[M+NH4]+ 805.06802 153.1
[M+K]+ 825.99736 153.1
[M-H]- 786.02692 153.1
[M+Na-2H]- 808.00887 153.1
[M]+ 787.03365 153.1
[M]- 787.03475 153.1
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.