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]+ 242.08232 151.0
[M+Na]+ 264.06426 156.3
[M-H]- 240.06776 150.4
[M+NH4]+ 259.10886 166.4
[M+K]+ 280.03820 154.2
[M+H-H2O]+ 224.07230 143.8
[M+HCOO]- 286.07324 170.1
[M+CH3COO]- 300.08889 189.7
[M+Na-2H]- 262.04971 152.4
[M]+ 241.07449 148.7
[M]- 241.07559 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.