CID 66289024

3-(2-fluorophenyl)-2-hydroxybutanoic acid

Structural Information

Molecular Formula
C10H11FO3
SMILES
CC(C1=CC=CC=C1F)C(C(=O)O)O
InChI
InChI=1S/C10H11FO3/c1-6(9(12)10(13)14)7-4-2-3-5-8(7)11/h2-6,9,12H,1H3,(H,13,14)
InChIKey
OCIAOSDNXJPIPE-UHFFFAOYSA-N
Compound name
3-(2-fluorophenyl)-2-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.06923 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.076506 140.4
[M+Na]+ 221.058448 146.9
[M-H]- 197.061954 140.1
[M+NH4]+ 216.103053 158.1
[M+K]+ 237.032388 145.0
[M+H-H2O]+ 181.066490 134.2
[M+HCOO]- 243.067431 158.5
[M+CH3COO]- 257.083081 180.9
[M+Na-2H]- 219.043896 142.1
[M]+ 198.06868142 137.9
[M]- 198.06977858 137.9
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

No patent data available for this compound.