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
2
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 157.7
[M+Na]+ 344.03036 164.7
[M-H]- 320.03386 145.2
[M+NH4]+ 339.07496 170.0
[M+K]+ 360.00430 162.2
[M+H-H2O]+ 304.03840 146.7
[M+HCOO]- 366.03934 162.7
[M+CH3COO]- 380.05499 206.5
[M+Na-2H]- 342.01581 158.6
[M]+ 321.04059 142.2
[M]- 321.04169 142.2
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.