CID 269535

33567-54-3

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 148.4
[M+Na]+ 265.02381 163.6
[M+NH4]+ 260.06841 156.9
[M+K]+ 280.99775 159.5
[M-H]- 241.02731 159.0
[M+Na-2H]- 263.00926 157.1
[M]+ 242.03404 155.0
[M]- 242.03514 155.0
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.