CID 90157190

Benzyl 3-fluoro-2-hydroxypropanoate

Structural Information

Molecular Formula
C10H11FO3
SMILES
C1=CC=C(C=C1)COC(=O)C(CF)O
InChI
InChI=1S/C10H11FO3/c11-6-9(12)10(13)14-7-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2
InChIKey
BCFGFPIKYAEZEF-UHFFFAOYSA-N
Compound name
benzyl 3-fluoro-2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

198.06923 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07651 140.9
[M+Na]+ 221.05845 147.2
[M-H]- 197.06195 141.6
[M+NH4]+ 216.10305 159.1
[M+K]+ 237.03239 145.6
[M+H-H2O]+ 181.06649 134.1
[M+HCOO]- 243.06743 161.5
[M+CH3COO]- 257.08308 180.6
[M+Na-2H]- 219.04390 144.9
[M]+ 198.06868 140.4
[M]- 198.06978 140.4
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