CID 138394399

10:2 fluorotelomer thia ethanoamido propyl betaine

Structural Information

Molecular Formula
C21H22F21N2O3S
SMILES
C[N+](C)(CCCNC(=O)CSCCC(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)CC(=O)O
InChI
InChI=1S/C21H21F21N2O3S/c1-44(2,8-11(46)47)6-3-5-43-10(45)9-48-7-4-12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)20(38,39)21(40,41)42/h3-9H2,1-2H3,(H-,43,45,46,47)/p+1
InChIKey
GIDYUKADFJBSAU-UHFFFAOYSA-O
Compound name
carboxymethyl-[3-[[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)acetyl]amino]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

781.10156 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 782.10884 153.2
[M+Na]+ 804.09078 153.2
[M+NH4]+ 799.13538 153.2
[M+K]+ 820.06472 153.2
[M-H]- 780.09428 153.2
[M+Na-2H]- 802.07623 153.1
[M]+ 781.10101 153.2
[M]- 781.10211 153.2
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.