CID 269535

Methyl 3-(5-chloro-2-methoxyphenyl)-2,3-epoxypropionate

Structural Information

Molecular Formula
C11H11ClO4
SMILES
COC1=C(C=C(C=C1)Cl)C2C(O2)C(=O)OC
InChI
InChI=1S/C11H11ClO4/c1-14-8-4-3-6(12)5-7(8)9-10(16-9)11(13)15-2/h3-5,9-10H,1-2H3
InChIKey
UKUHRBVTJWEYBW-UHFFFAOYSA-N
Compound name
methyl 3-(5-chloro-2-methoxyphenyl)oxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.03459 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04187 146.3
[M+Na]+ 265.02381 157.9
[M-H]- 241.02731 155.2
[M+NH4]+ 260.06841 159.3
[M+K]+ 280.99775 155.7
[M+H-H2O]+ 225.03185 140.5
[M+HCOO]- 287.03279 165.2
[M+CH3COO]- 301.04844 193.5
[M+Na-2H]- 263.00926 151.3
[M]+ 242.03404 156.1
[M]- 242.03514 156.1
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

No patent data available for this compound.