CID 145866895

2375248-01-2

Structural Information

Molecular Formula
C10H11ClFNO2
SMILES
COC(=O)[C@@H](CC1=C(C=CC(=C1)Cl)F)N
InChI
InChI=1S/C10H11ClFNO2/c1-15-10(14)9(13)5-6-4-7(11)2-3-8(6)12/h2-4,9H,5,13H2,1H3/t9-/m1/s1
InChIKey
YQQNBNRRPNLWMG-SECBINFHSA-N
Compound name
methyl (2R)-2-amino-3-(5-chloro-2-fluorophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.04623 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.05351 145.9
[M+Na]+ 254.03545 157.0
[M+NH4]+ 249.08005 153.0
[M+K]+ 270.00939 151.6
[M-H]- 230.03895 146.1
[M+Na-2H]- 252.02090 150.8
[M]+ 231.04568 147.5
[M]- 231.04678 147.5
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.