CID 138396253

Dtxsid90893322

Structural Information

Molecular Formula
C11H8F13NO3
SMILES
CCN(CC(=O)O)C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H8F13NO3/c1-2-25(3-4(26)27)5(28)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2-3H2,1H3,(H,26,27)
InChIKey
WQOPHOQWUOUNDF-UHFFFAOYSA-N
Compound name
2-[ethyl(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.02966 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.03694 181.3
[M+Na]+ 472.01888 180.8
[M+NH4]+ 467.06348 180.0
[M+K]+ 487.99282 179.9
[M-H]- 448.02238 176.5
[M+Na-2H]- 470.00433 179.1
[M]+ 449.02911 179.6
[M]- 449.03021 179.6
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.