CID 71757136

Methyl 3-(1-chloro-2-methoxy-2-oxoethyl)benzoate

Structural Information

Molecular Formula
C11H11ClO4
SMILES
COC(=O)C1=CC=CC(=C1)C(C(=O)OC)Cl
InChI
InChI=1S/C11H11ClO4/c1-15-10(13)8-5-3-4-7(6-8)9(12)11(14)16-2/h3-6,9H,1-2H3
InChIKey
KTOABCRNHOSVKZ-UHFFFAOYSA-N
Compound name
methyl 3-(1-chloro-2-methoxy-2-oxoethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.03459 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04187 147.4
[M+Na]+ 265.02381 155.6
[M-H]- 241.02731 151.4
[M+NH4]+ 260.06841 165.9
[M+K]+ 280.99775 153.6
[M+H-H2O]+ 225.03185 142.5
[M+HCOO]- 287.03279 165.3
[M+CH3COO]- 301.04844 189.9
[M+Na-2H]- 263.00926 150.1
[M]+ 242.03404 153.0
[M]- 242.03514 153.0
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.