CID 89439

21133-98-2

Structural Information

Molecular Formula
C12H15ClO3
SMILES
CCOC(=O)CC(C)(C1=CC=C(C=C1)Cl)O
InChI
InChI=1S/C12H15ClO3/c1-3-16-11(14)8-12(2,15)9-4-6-10(13)7-5-9/h4-7,15H,3,8H2,1-2H3
InChIKey
AKTWBLNPMXANJD-UHFFFAOYSA-N
Compound name
ethyl 3-(4-chlorophenyl)-3-hydroxybutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

242.07097 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07825 152.3
[M+Na]+ 265.06019 164.3
[M+NH4]+ 260.10479 159.7
[M+K]+ 281.03413 158.7
[M-H]- 241.06369 152.6
[M+Na-2H]- 263.04564 157.7
[M]+ 242.07042 154.3
[M]- 242.07152 154.3
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.