CID 138396240

N-[[4-[(heptadecafluorononenyl)oxy]phenyl]sulfonyl]-n-methylglycine sodium salt

Structural Information

Molecular Formula
C18H10F17NO5S
SMILES
CN(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)OC(=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
InChI
InChI=1S/C18H10F17NO5S/c1-36(6-9(37)38)42(39,40)8-4-2-7(3-5-8)41-11(20)10(19)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h2-5H,6H2,1H3,(H,37,38)
InChIKey
XBKPBKCMAADGGE-UHFFFAOYSA-N
Compound name
2-[[4-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy)phenyl]sulfonyl-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

675.0008 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 676.00808 163.5
[M+Na]+ 697.99002 163.4
[M+NH4]+ 693.03462 163.2
[M+K]+ 713.96396 163.8
[M-H]- 673.99352 162.1
[M+Na-2H]- 695.97547 163.7
[M]+ 675.00025 163.0
[M]- 675.00135 163.0
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.