CID 15227560

(4s)-5-fluoro-l-leucine

Structural Information

Molecular Formula
C6H12FNO2
SMILES
C[C@@H](C[C@@H](C(=O)O)N)CF
InChI
InChI=1S/C6H12FNO2/c1-4(3-7)2-5(8)6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5-/m0/s1
InChIKey
FHOARJRQRXAPOF-WHFBIAKZSA-N
Compound name
(2S,4S)-2-amino-5-fluoro-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

149.0852 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09248 132.4
[M+Na]+ 172.07442 137.9
[M-H]- 148.07792 129.4
[M+NH4]+ 167.11902 152.1
[M+K]+ 188.04836 137.6
[M+H-H2O]+ 132.08246 126.6
[M+HCOO]- 194.08340 151.6
[M+CH3COO]- 208.09905 177.1
[M+Na-2H]- 170.05987 133.5
[M]+ 149.08465 128.8
[M]- 149.08575 128.8
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.