CID 14916085

Methyl 2-(3-chlorophenyl)-2-hydroxyacetate

Structural Information

Molecular Formula
C9H9ClO3
SMILES
COC(=O)C(C1=CC(=CC=C1)Cl)O
InChI
InChI=1S/C9H9ClO3/c1-13-9(12)8(11)6-3-2-4-7(10)5-6/h2-5,8,11H,1H3
InChIKey
CPEZVACFWJSZNE-UHFFFAOYSA-N
Compound name
methyl 2-(3-chlorophenyl)-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

44
Patents

200.02402 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03130 138.2
[M+Na]+ 223.01324 150.8
[M+NH4]+ 218.05784 146.2
[M+K]+ 238.98718 145.5
[M-H]- 199.01674 139.0
[M+Na-2H]- 220.99869 144.2
[M]+ 200.02347 140.4
[M]- 200.02457 140.4
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