CID 28460

Ethyl 3,5-dichloro-4-hydroxybenzoate

Structural Information

Molecular Formula
C9H8Cl2O3
SMILES
CCOC(=O)C1=CC(=C(C(=C1)Cl)O)Cl
InChI
InChI=1S/C9H8Cl2O3/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,12H,2H2,1H3
InChIKey
WMKNGSJJEMFQOT-UHFFFAOYSA-N
Compound name
ethyl 3,5-dichloro-4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

106
Patents

233.98505 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.992326 141.2
[M+Na]+ 256.974268 152.2
[M-H]- 232.977774 143.9
[M+NH4]+ 252.018873 160.5
[M+K]+ 272.948208 147.5
[M+H-H2O]+ 216.982310 138.2
[M+HCOO]- 278.983251 154.8
[M+CH3COO]- 292.998901 186.1
[M+Na-2H]- 254.959716 144.8
[M]+ 233.98450142 146.5
[M]- 233.98559858 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe