CID 138394474

14:2 fluorotelomer thioether amido sulfonic acid

Structural Information

Molecular Formula
C23H18F29NO4S2
SMILES
CC(C)(CS(=O)(=O)O)NC(=O)CCSCCC(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C23H18F29NO4S2/c1-9(2,7-59(55,56)57)53-8(54)3-5-58-6-4-10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)16(36,37)17(38,39)18(40,41)19(42,43)20(44,45)21(46,47)22(48,49)23(50,51)52/h3-7H2,1-2H3,(H,53,54)(H,55,56,57)
InChIKey
OETXJTOSJNJQGJ-UHFFFAOYSA-N
Compound name
2-methyl-2-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecylsulfanyl)propanoylamino]propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

987.0214 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 988.02868 248.5
[M+Na]+ 1010.0106 247.5
[M-H]- 986.01412 260.6
[M+NH4]+ 1005.0552 260.6
[M+K]+ 1025.9846 265.3
[M+H-H2O]+ 970.01866 232.7
[M+HCOO]- 1032.0196 259.0
[M+CH3COO]- 1046.0353 282.1
[M+Na-2H]- 1007.9961 246.5
[M]+ 987.02085 249.5
[M]- 987.02195 249.5
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.