CID 23644579

(2s,3s)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid

Structural Information

Molecular Formula
C9H9FO4
SMILES
C1=CC(=CC=C1[C@@H]([C@@H](C(=O)O)O)O)F
InChI
InChI=1S/C9H9FO4/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,11-12H,(H,13,14)/t7-,8-/m0/s1
InChIKey
DWYLYIVEFVSGCP-YUMQZZPRSA-N
Compound name
(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

200.0485 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.05578 139.3
[M+Na]+ 223.03772 145.6
[M-H]- 199.04122 137.7
[M+NH4]+ 218.08232 156.0
[M+K]+ 239.01166 143.7
[M+H-H2O]+ 183.04576 133.2
[M+HCOO]- 245.04670 156.3
[M+CH3COO]- 259.06235 177.6
[M+Na-2H]- 221.02317 140.9
[M]+ 200.04795 135.9
[M]- 200.04905 135.9
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