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

14
Patents

198.06923 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.076506 140.9
[M+Na]+ 221.058448 147.2
[M-H]- 197.061954 141.6
[M+NH4]+ 216.103053 159.1
[M+K]+ 237.032388 145.6
[M+H-H2O]+ 181.066490 134.1
[M+HCOO]- 243.067431 161.5
[M+CH3COO]- 257.083081 180.6
[M+Na-2H]- 219.043896 144.9
[M]+ 198.06868142 140.4
[M]- 198.06977858 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