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: 14
Patents: 149.0852 Da
Monoisotopic Mass: -1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe