CID 139597261

14:2 fluorotelomer sulfonamido propyl betaine

Structural Information

Molecular Formula
C23H20F29N2O4S
SMILES
C[N+](C)(CCCNS(=O)(=O)CCC(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)CC(=O)O
InChI
InChI=1S/C23H19F29N2O4S/c1-54(2,8-9(55)56)6-3-5-53-59(57,58)7-4-10(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/h53H,3-8H2,1-2H3/p+1
InChIKey
UBSZWJXDYPGIHZ-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-[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-nonacosafluorohexadecylsulfonylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

971.06805 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 972.07533 258.9
[M+Na]+ 994.05727 259.4
[M-H]- 970.06077 274.9
[M+NH4]+ 989.10187 271.9
[M+K]+ 1010.0312 275.2
[M+H-H2O]+ 954.06531 240.5
[M+HCOO]- 1016.0663 271.4
[M+CH3COO]- 1030.0819 280.8
[M+Na-2H]- 992.04272 256.4
[M]+ 971.06750 256.4
[M]- 971.06860 256.4
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.