CID 61721618

Methyl 2-(4-chloro-2-formylphenoxy)propanoate

Structural Information

Molecular Formula
C11H11ClO4
SMILES
CC(C(=O)OC)OC1=C(C=C(C=C1)Cl)C=O
InChI
InChI=1S/C11H11ClO4/c1-7(11(14)15-2)16-10-4-3-9(12)5-8(10)6-13/h3-7H,1-2H3
InChIKey
XGHYOLDOFLWAHM-UHFFFAOYSA-N
Compound name
methyl 2-(4-chloro-2-formylphenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.03459 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.041866 146.7
[M+Na]+ 265.023808 155.9
[M-H]- 241.027314 150.9
[M+NH4]+ 260.068413 165.5
[M+K]+ 280.997748 153.6
[M+H-H2O]+ 225.031850 141.9
[M+HCOO]- 287.032791 165.6
[M+CH3COO]- 301.048441 190.9
[M+Na-2H]- 263.009256 149.9
[M]+ 242.03404142 153.4
[M]- 242.03513858 153.4
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.