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]+ 258.035976 143.9
[M+Na]+ 280.017918 151.2
[M-H]- 256.021424 133.8
[M+NH4]+ 275.062523 159.0
[M+K]+ 295.991858 149.4
[M+H-H2O]+ 240.025960 134.5
[M+HCOO]- 302.026901 153.2
[M+CH3COO]- 316.042551 194.1
[M+Na-2H]- 278.003366 145.7
[M]+ 257.02815142 131.2
[M]- 257.02924858 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