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]+ 988.028676 248.5
[M+Na]+ 1010.010618 247.5
[M-H]- 986.014124 260.6
[M+NH4]+ 1005.055223 260.6
[M+K]+ 1025.984558 265.3
[M+H-H2O]+ 970.018660 232.7
[M+HCOO]- 1032.019601 259.0
[M+CH3COO]- 1046.035251 282.1
[M+Na-2H]- 1007.996066 246.5
[M]+ 987.02085142 249.5
[M]- 987.02194858 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.