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

12
Patents

233.98505 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.99233 143.3
[M+Na]+ 256.97427 156.7
[M+NH4]+ 252.01887 151.2
[M+K]+ 272.94821 150.9
[M-H]- 232.97777 143.9
[M+Na-2H]- 254.95972 149.0
[M]+ 233.98450 145.9
[M]- 233.98560 145.9
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