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]+ 1072.0689 272.8
[M+Na]+ 1094.0508 272.7
[M-H]- 1070.0543 288.7
[M+NH4]+ 1089.0954 285.2
[M+K]+ 1110.0248 288.7
[M+H-H2O]+ 1054.0589 255.6
[M+HCOO]- 1116.0598 283.7
[M+CH3COO]- 1130.0755 282.8
[M+Na-2H]- 1092.0363 271.3
[M]+ 1071.0611 269.2
[M]- 1071.0621 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.