CID 2339323

4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoic acid

Structural Information

Molecular Formula
C15H12Cl2O4
SMILES
COC1=C(C=CC(=C1)C(=O)O)OCC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H12Cl2O4/c1-20-14-6-9(15(18)19)3-5-13(14)21-8-10-2-4-11(16)7-12(10)17/h2-7H,8H2,1H3,(H,18,19)
InChIKey
NVHDYMQROKRTPK-UHFFFAOYSA-N
Compound name
4-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.01126 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.01854 165.4
[M+Na]+ 349.00048 175.7
[M-H]- 325.00398 171.0
[M+NH4]+ 344.04508 180.6
[M+K]+ 364.97442 170.2
[M+H-H2O]+ 309.00852 160.0
[M+HCOO]- 371.00946 178.5
[M+CH3COO]- 385.02511 203.5
[M+Na-2H]- 346.98593 167.6
[M]+ 326.01071 172.6
[M]- 326.01181 172.6
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.