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

7
Patents

871.07446 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 872.081736 244.9
[M+Na]+ 894.063678 246.0
[M-H]- 870.067184 260.4
[M+NH4]+ 889.108283 257.8
[M+K]+ 910.037618 260.8
[M+H-H2O]+ 854.071720 225.7
[M+HCOO]- 916.072661 258.9
[M+CH3COO]- 930.088311 276.0
[M+Na-2H]- 892.049126 241.3
[M]+ 871.07391142 242.8
[M]- 871.07500858 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.