CID 19770374

Ethyl 3-(3,5-dichlorophenyl)-3-hydroxypropanoate

Structural Information

Molecular Formula
C11H12Cl2O3
SMILES
CCOC(=O)CC(C1=CC(=CC(=C1)Cl)Cl)O
InChI
InChI=1S/C11H12Cl2O3/c1-2-16-11(15)6-10(14)7-3-8(12)5-9(13)4-7/h3-5,10,14H,2,6H2,1H3
InChIKey
XBUGBVJVSFWXPF-UHFFFAOYSA-N
Compound name
ethyl 3-(3,5-dichlorophenyl)-3-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

262.01636 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.02364 150.7
[M+Na]+ 285.00558 159.7
[M-H]- 261.00908 152.8
[M+NH4]+ 280.05018 168.5
[M+K]+ 300.97952 154.9
[M+H-H2O]+ 245.01362 147.2
[M+HCOO]- 307.01456 162.6
[M+CH3COO]- 321.03021 191.7
[M+Na-2H]- 282.99103 152.7
[M]+ 262.01581 155.8
[M]- 262.01691 155.8
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