CID 29897711

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

Structural Information

Molecular Formula
C10H10FNO4
SMILES
C1=CC(=CC=C1C(=O)N[C@@H](CO)C(=O)O)F
InChI
InChI=1S/C10H10FNO4/c11-7-3-1-6(2-4-7)9(14)12-8(5-13)10(15)16/h1-4,8,13H,5H2,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKey
UXACWZYNADSDND-QMMMGPOBSA-N
Compound name
(2S)-2-[(4-fluorobenzoyl)amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

227.05939 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06667 146.4
[M+Na]+ 250.04861 152.1
[M-H]- 226.05211 146.0
[M+NH4]+ 245.09321 162.3
[M+K]+ 266.02255 150.3
[M+H-H2O]+ 210.05665 139.4
[M+HCOO]- 272.05759 165.8
[M+CH3COO]- 286.07324 186.7
[M+Na-2H]- 248.03406 148.3
[M]+ 227.05884 143.7
[M]- 227.05994 143.7
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

patents stripe