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]+ 263.023636 150.7
[M+Na]+ 285.005578 159.7
[M-H]- 261.009084 152.8
[M+NH4]+ 280.050183 168.5
[M+K]+ 300.979518 154.9
[M+H-H2O]+ 245.013620 147.2
[M+HCOO]- 307.014561 162.6
[M+CH3COO]- 321.030211 191.7
[M+Na-2H]- 282.991026 152.7
[M]+ 262.01581142 155.8
[M]- 262.01690858 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