CID 54022570

Schembl9640599

Structural Information

Molecular Formula
C10H4F15NO3
SMILES
C(C(=O)O)NC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H4F15NO3/c11-4(12,3(29)26-1-2(27)28)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1H2,(H,26,29)(H,27,28)
InChIKey
KZYDHGQYENTJQK-UHFFFAOYSA-N
Compound name
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

470.99518 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.00246 170.2
[M+Na]+ 493.98440 170.0
[M+NH4]+ 489.02900 169.5
[M+K]+ 509.95834 169.8
[M-H]- 469.98790 167.3
[M+Na-2H]- 491.96985 169.4
[M]+ 470.99463 169.2
[M]- 470.99573 169.2
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