CID 599576

4-methoxyphenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C14H10Cl2O3
SMILES
COC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H10Cl2O3/c1-18-10-3-5-11(6-4-10)19-14(17)12-7-2-9(15)8-13(12)16/h2-8H,1H3
InChIKey
LXWWJLRTWZQQHG-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl) 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.0007 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.007976 158.9
[M+Na]+ 318.989918 169.5
[M-H]- 294.993424 165.6
[M+NH4]+ 314.034523 175.9
[M+K]+ 334.963858 164.2
[M+H-H2O]+ 278.997960 153.4
[M+HCOO]- 340.998901 173.6
[M+CH3COO]- 355.014551 199.1
[M+Na-2H]- 316.975366 162.6
[M]+ 296.00015142 165.6
[M]- 296.00124858 165.6
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.