CID 1509550

162218-64-6

Structural Information

Molecular Formula
C14H10Cl2O3
SMILES
C1=CC=C(C(=C1)C(=O)O)OCC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H10Cl2O3/c15-10-6-5-9(12(16)7-10)8-19-13-4-2-1-3-11(13)14(17)18/h1-7H,8H2,(H,17,18)
InChIKey
JEXMPVYBTQRIEY-UHFFFAOYSA-N
Compound name
2-[(2,4-dichlorophenyl)methoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

296.0007 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.00798 158.8
[M+Na]+ 318.98992 168.8
[M-H]- 294.99342 164.1
[M+NH4]+ 314.03452 175.0
[M+K]+ 334.96386 162.7
[M+H-H2O]+ 278.99796 153.6
[M+HCOO]- 340.99890 172.0
[M+CH3COO]- 355.01455 197.3
[M+Na-2H]- 316.97537 162.1
[M]+ 296.00015 163.8
[M]- 296.00125 163.8
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

patents stripe