CID 11368886

3-amino-4,4,5,5,6,6,6-heptafluorohexanoic acid

Structural Information

Molecular Formula
C6H6F7NO2
SMILES
C(C(C(C(C(F)(F)F)(F)F)(F)F)N)C(=O)O
InChI
InChI=1S/C6H6F7NO2/c7-4(8,2(14)1-3(15)16)5(9,10)6(11,12)13/h2H,1,14H2,(H,15,16)
InChIKey
ZYTPQABOCYJUBI-UHFFFAOYSA-N
Compound name
3-amino-4,4,5,5,6,6,6-heptafluorohexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

257.0287 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03598 143.9
[M+Na]+ 280.01792 151.2
[M-H]- 256.02142 133.8
[M+NH4]+ 275.06252 159.0
[M+K]+ 295.99186 149.4
[M+H-H2O]+ 240.02596 134.5
[M+HCOO]- 302.02690 153.2
[M+CH3COO]- 316.04255 194.1
[M+Na-2H]- 278.00337 145.7
[M]+ 257.02815 131.2
[M]- 257.02925 131.2
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

patents stripe