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
2
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 239.8
[M+Na]+ 804.09078 242.0
[M-H]- 780.09428 252.3
[M+NH4]+ 799.13538 251.5
[M+K]+ 820.06472 255.0
[M+H-H2O]+ 764.09882 221.3
[M+HCOO]- 826.09976 252.0
[M+CH3COO]- 840.11541 271.7
[M+Na-2H]- 802.07623 233.9
[M]+ 781.10101 235.7
[M]- 781.10211 235.7
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.