CID 128057

4-fluorothreonine

Structural Information

Molecular Formula
C4H8FNO3
SMILES
C([C@H]([C@@H](C(=O)O)N)O)F
InChI
InChI=1S/C4H8FNO3/c5-1-2(7)3(6)4(8)9/h2-3,7H,1,6H2,(H,8,9)/t2-,3+/m1/s1
InChIKey
GTFWIYJIEXNAOL-GBXIJSLDSA-N
Compound name
(2S,3S)-2-amino-4-fluoro-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

121
Patents

137.04883 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05611 126.3
[M+Na]+ 160.03805 132.1
[M-H]- 136.04155 122.1
[M+NH4]+ 155.08265 145.6
[M+K]+ 176.01199 131.9
[M+H-H2O]+ 120.04609 120.8
[M+HCOO]- 182.04703 144.9
[M+CH3COO]- 196.06268 170.6
[M+Na-2H]- 158.02350 127.9
[M]+ 137.04828 121.5
[M]- 137.04938 121.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe