CID 62962579

Ethyl 4,4,5,5,6,6,6-heptafluoronorleucinate

Structural Information

Molecular Formula
C8H10F7NO2
SMILES
CCOC(=O)C(CC(C(C(F)(F)F)(F)F)(F)F)N
InChI
InChI=1S/C8H10F7NO2/c1-2-18-5(17)4(16)3-6(9,10)7(11,12)8(13,14)15/h4H,2-3,16H2,1H3
InChIKey
YAKVMKQFSVSQLD-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4,4,5,5,6,6,6-heptafluorohexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

285.05997 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.06725 153.5
[M+Na]+ 308.04919 160.5
[M-H]- 284.05269 144.5
[M+NH4]+ 303.09379 168.3
[M+K]+ 324.02313 159.1
[M+H-H2O]+ 268.05723 143.5
[M+HCOO]- 330.05817 163.6
[M+CH3COO]- 344.07382 201.8
[M+Na-2H]- 306.03464 154.8
[M]+ 285.05942 143.4
[M]- 285.06052 143.4
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.