CID 138394387

12:2 fluorotelomer sulfonamido propyl betaine

Structural Information

Molecular Formula
C21H20F25N2O4S
SMILES
C[N+](C)(CCCNS(=O)(=O)CCC(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)CC(=O)O
InChI
InChI=1S/C21H19F25N2O4S/c1-48(2,8-9(49)50)6-3-5-47-53(51,52)7-4-10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)17(36,37)18(38,39)19(40,41)20(42,43)21(44,45)46/h47H,3-8H2,1-2H3/p+1
InChIKey
YXAFVGLROFTRER-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecylsulfonylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

871.07446 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 872.08174 244.9
[M+Na]+ 894.06368 246.0
[M-H]- 870.06718 260.4
[M+NH4]+ 889.10828 257.8
[M+K]+ 910.03762 260.8
[M+H-H2O]+ 854.07172 225.7
[M+HCOO]- 916.07266 258.9
[M+CH3COO]- 930.08831 276.0
[M+Na-2H]- 892.04913 241.3
[M]+ 871.07391 242.8
[M]- 871.07501 242.8
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.