CID 12783165

36369-37-6

Structural Information

Molecular Formula
C11H12FNO4
SMILES
C1=CC=C(C=C1)COC(=O)N[C@H](CF)C(=O)O
InChI
InChI=1S/C11H12FNO4/c12-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKey
FXFJJOJQOPXMPP-SECBINFHSA-N
Compound name
(2S)-3-fluoro-2-(phenylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

241.07504 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08232 151.3
[M+Na]+ 264.06426 156.2
[M-H]- 240.06776 151.8
[M+NH4]+ 259.10886 167.2
[M+K]+ 280.03820 154.9
[M+H-H2O]+ 224.07230 143.7
[M+HCOO]- 286.07324 172.0
[M+CH3COO]- 300.08889 190.1
[M+Na-2H]- 262.04971 153.9
[M]+ 241.07449 150.4
[M]- 241.07559 150.4
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

patents stripe