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]+ 297.00798 158.9
[M+Na]+ 318.98992 169.5
[M-H]- 294.99342 165.6
[M+NH4]+ 314.03452 175.9
[M+K]+ 334.96386 164.2
[M+H-H2O]+ 278.99796 153.4
[M+HCOO]- 340.99890 173.6
[M+CH3COO]- 355.01455 199.1
[M+Na-2H]- 316.97537 162.6
[M]+ 296.00015 165.6
[M]- 296.00125 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.