CID 100988824

{ethyl[(perfluorononyl)sulfonyl]amino}acetic acid

Structural Information

Molecular Formula
C13H8F19NO4S
SMILES
CCN(CC(=O)O)S(=O)(=O)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
InChI
InChI=1S/C13H8F19NO4S/c1-2-33(3-4(34)35)38(36,37)13(31,32)11(26,27)9(22,23)7(18,19)5(14,15)6(16,17)8(20,21)10(24,25)12(28,29)30/h2-3H2,1H3,(H,34,35)
InChIKey
PEORYHIJPVLYKF-UHFFFAOYSA-N
Compound name
2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononylsulfonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

634.98706 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 635.99434 153.8
[M+Na]+ 657.97628 153.8
[M+NH4]+ 653.02088 153.9
[M+K]+ 673.95022 153.9
[M-H]- 633.97978 153.8
[M+Na-2H]- 655.96173 153.7
[M]+ 634.98651 153.8
[M]- 634.98761 153.8
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.