CID 14369846

2-amino-5,5,6,6,7,7,8,8,8-nonafluorooctanoic acid

Structural Information

Molecular Formula
C8H8F9NO2
SMILES
C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(=O)O)N
InChI
InChI=1S/C8H8F9NO2/c9-5(10,2-1-3(18)4(19)20)6(11,12)7(13,14)8(15,16)17/h3H,1-2,18H2,(H,19,20)
InChIKey
XORTVLLLUZAIQK-UHFFFAOYSA-N
Compound name
2-amino-5,5,6,6,7,7,8,8,8-nonafluorooctanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.04114 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.04842 185.1
[M+Na]+ 344.03036 184.8
[M+NH4]+ 339.07496 183.9
[M+K]+ 360.00430 183.2
[M-H]- 320.03386 176.3
[M+Na-2H]- 342.01581 181.3
[M]+ 321.04059 182.1
[M]- 321.04169 182.1
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.