CID 3057752

Brn 5604392

Structural Information

Molecular Formula
C19H19ClO4
SMILES
CCOC(=O)C(C)OC1=CC=CC(=C1C)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H19ClO4/c1-4-23-19(22)13(3)24-17-7-5-6-16(12(17)2)18(21)14-8-10-15(20)11-9-14/h5-11,13H,4H2,1-3H3
InChIKey
JJVFTMFYQDPOKZ-UHFFFAOYSA-N
Compound name
ethyl 2-[3-(4-chlorobenzoyl)-2-methylphenoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.0972 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10448 177.3
[M+Na]+ 369.08642 184.8
[M-H]- 345.08992 184.1
[M+NH4]+ 364.13102 191.4
[M+K]+ 385.06036 180.9
[M+H-H2O]+ 329.09446 170.2
[M+HCOO]- 391.09540 193.8
[M+CH3COO]- 405.11105 212.6
[M+Na-2H]- 367.07187 176.8
[M]+ 346.09665 184.2
[M]- 346.09775 184.2
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.