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

13
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 141.3
[M+Na]+ 256.97427 151.1
[M-H]- 232.97777 143.7
[M+NH4]+ 252.01887 160.2
[M+K]+ 272.94821 146.8
[M+H-H2O]+ 216.98231 138.2
[M+HCOO]- 278.98325 153.9
[M+CH3COO]- 292.99890 185.8
[M+Na-2H]- 254.95972 144.4
[M]+ 233.98450 145.6
[M]- 233.98560 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