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]+ 972.075326 258.9
[M+Na]+ 994.057268 259.4
[M-H]- 970.060774 274.9
[M+NH4]+ 989.101873 271.9
[M+K]+ 1010.031208 275.2
[M+H-H2O]+ 954.065310 240.5
[M+HCOO]- 1016.066251 271.4
[M+CH3COO]- 1030.081901 280.8
[M+Na-2H]- 992.042716 256.4
[M]+ 971.06750142 256.4
[M]- 971.06859858 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.