CID 56978223

Methyl 2-(3,5-dichlorophenyl)-2-hydroxyacetate

Structural Information

Molecular Formula
C9H8Cl2O3
SMILES
COC(=O)C(C1=CC(=CC(=C1)Cl)Cl)O
InChI
InChI=1S/C9H8Cl2O3/c1-14-9(13)8(12)5-2-6(10)4-7(11)3-5/h2-4,8,12H,1H3
InChIKey
ZIRDWWNAXJFVAZ-UHFFFAOYSA-N
Compound name
methyl 2-(3,5-dichlorophenyl)-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

233.98505 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.992326 141.3
[M+Na]+ 256.974268 151.1
[M-H]- 232.977774 143.7
[M+NH4]+ 252.018873 160.2
[M+K]+ 272.948208 146.8
[M+H-H2O]+ 216.982310 138.2
[M+HCOO]- 278.983251 153.9
[M+CH3COO]- 292.998901 185.8
[M+Na-2H]- 254.959716 144.4
[M]+ 233.98450142 145.6
[M]- 233.98559858 145.6
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