CID 92625

Methyl 3-chloro-4-hydroxyphenylacetate

Structural Information

Molecular Formula
C9H9ClO3
SMILES
COC(=O)CC1=CC(=C(C=C1)O)Cl
InChI
InChI=1S/C9H9ClO3/c1-13-9(12)5-6-2-3-8(11)7(10)4-6/h2-4,11H,5H2,1H3
InChIKey
ACBFEXJHCINJDS-UHFFFAOYSA-N
Compound name
methyl 2-(3-chloro-4-hydroxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

269
Patents

200.02402 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.031296 137.0
[M+Na]+ 223.013238 146.7
[M-H]- 199.016744 139.9
[M+NH4]+ 218.057843 156.9
[M+K]+ 238.987178 143.4
[M+H-H2O]+ 183.021280 132.8
[M+HCOO]- 245.022221 155.5
[M+CH3COO]- 259.037871 180.2
[M+Na-2H]- 220.998686 141.8
[M]+ 200.02347142 140.8
[M]- 200.02456858 140.8
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