CID 16770030

1396966-88-3

Structural Information

Molecular Formula
C10H11ClFNO2
SMILES
CC(C(=O)O)NCC1=C(C=CC=C1Cl)F
InChI
InChI=1S/C10H11ClFNO2/c1-6(10(14)15)13-5-7-8(11)3-2-4-9(7)12/h2-4,6,13H,5H2,1H3,(H,14,15)
InChIKey
RZDVELFLKLIEGH-UHFFFAOYSA-N
Compound name
2-[(2-chloro-6-fluorophenyl)methylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.04623 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.05351 146.0
[M+Na]+ 254.03545 156.9
[M+NH4]+ 249.08005 152.9
[M+K]+ 270.00939 151.6
[M-H]- 230.03895 145.9
[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.