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

59
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 137.5
[M+Na]+ 223.01324 146.0
[M-H]- 199.01674 140.2
[M+NH4]+ 218.05784 157.0
[M+K]+ 238.98718 143.2
[M+H-H2O]+ 183.02128 133.2
[M+HCOO]- 245.02222 155.1
[M+CH3COO]- 259.03787 179.9
[M+Na-2H]- 220.99869 141.8
[M]+ 200.02347 140.3
[M]- 200.02457 140.3
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