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
2
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]+ 557.077376 186.5
[M+Na]+ 579.059318 192.8
[M-H]- 555.062824 195.8
[M+NH4]+ 574.103923 196.6
[M+K]+ 595.033258 198.9
[M+H-H2O]+ 539.067360 176.0
[M+HCOO]- 601.068301 199.4
[M+CH3COO]- 615.083951 247.8
[M+Na-2H]- 577.044766 182.3
[M]+ 556.06955142 183.8
[M]- 556.07064858 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

literature stripe

Patent stripe

patents stripe