CID 139594954

16:2 fluorotelomer sulfonamido propyl betaine

Structural Information

Molecular Formula
C25H20F33N2O4S
SMILES
C[N+](C)(CCCNS(=O)(=O)CCC(C(C(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)(F)F)(F)F)CC(=O)O
InChI
InChI=1S/C25H19F33N2O4S/c1-60(2,8-9(61)62)6-3-5-59-65(63,64)7-4-10(26,27)11(28,29)12(30,31)13(32,33)14(34,35)15(36,37)16(38,39)17(40,41)18(42,43)19(44,45)20(46,47)21(48,49)22(50,51)23(52,53)24(54,55)25(56,57)58/h59H,3-8H2,1-2H3/p+1
InChIKey
FRGQFEVGSLUETE-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecylsulfonylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1071.0616 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1072.068876 272.8
[M+Na]+ 1094.050818 272.7
[M-H]- 1070.054324 288.7
[M+NH4]+ 1089.095423 285.2
[M+K]+ 1110.024758 288.7
[M+H-H2O]+ 1054.058860 255.6
[M+HCOO]- 1116.059801 283.7
[M+CH3COO]- 1130.075451 282.8
[M+Na-2H]- 1092.036266 271.3
[M]+ 1071.06105142 269.2
[M]- 1071.06214858 269.2
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.