CID 163198791

Wipmntyssrxand-uhfffaoysa-n

Structural Information

Molecular Formula
C11H6F15NO3
SMILES
C(CNC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O
InChI
InChI=1S/C11H6F15NO3/c12-5(13,4(30)27-2-1-3(28)29)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h1-2H2,(H,27,30)(H,28,29)
InChIKey
WIPMNTYSSRXAND-UHFFFAOYSA-N
Compound name
3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

485.0108 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.01808 165.4
[M+Na]+ 508.00002 172.4
[M-H]- 484.00352 175.4
[M+NH4]+ 503.04462 174.6
[M+K]+ 523.97396 178.0
[M+H-H2O]+ 468.00806 155.7
[M+HCOO]- 530.00900 180.2
[M+CH3COO]- 544.02465 233.9
[M+Na-2H]- 505.98547 164.1
[M]+ 485.01025 161.1
[M]- 485.01135 161.1
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

No patent data available for this compound.