CID 102598503

6:2 fluorotelomer sulfonamido propyl methyl amino acetic acid

Structural Information

Molecular Formula
C14H17F13N2O4S
SMILES
CN(CCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)O
InChI
InChI=1S/C14H17F13N2O4S/c1-29(7-8(30)31)5-2-4-28-34(32,33)6-3-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h28H,2-7H2,1H3,(H,30,31)
InChIKey
DPEDKFNZJCKZOD-UHFFFAOYSA-N
Compound name
2-[methyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonylamino)propyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

556.0701 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.07738 186.5
[M+Na]+ 579.05932 192.8
[M-H]- 555.06282 195.8
[M+NH4]+ 574.10392 196.6
[M+K]+ 595.03326 198.9
[M+H-H2O]+ 539.06736 176.0
[M+HCOO]- 601.06830 199.4
[M+CH3COO]- 615.08395 247.8
[M+Na-2H]- 577.04477 182.3
[M]+ 556.06955 183.8
[M]- 556.07065 183.8
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

patents stripe