CID 28110457

(2s)-2-[2-(4-fluorophenyl)acetamido]-3-hydroxypropanoic acid

Structural Information

Molecular Formula
C11H12FNO4
SMILES
C1=CC(=CC=C1CC(=O)N[C@@H](CO)C(=O)O)F
InChI
InChI=1S/C11H12FNO4/c12-8-3-1-7(2-4-8)5-10(15)13-9(6-14)11(16)17/h1-4,9,14H,5-6H2,(H,13,15)(H,16,17)/t9-/m0/s1
InChIKey
VDWQDGFQPOZFJJ-VIFPVBQESA-N
Compound name
(2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.07504 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.082316 151.0
[M+Na]+ 264.064258 156.3
[M-H]- 240.067764 150.4
[M+NH4]+ 259.108863 166.4
[M+K]+ 280.038198 154.2
[M+H-H2O]+ 224.072300 143.8
[M+HCOO]- 286.073241 170.1
[M+CH3COO]- 300.088891 189.7
[M+Na-2H]- 262.049706 152.4
[M]+ 241.07449142 148.7
[M]- 241.07558858 148.7
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.