CID 4100107

62176-37-8

Structural Information

Molecular Formula
C14H9Cl3O3
SMILES
C1=CC(=C(C=C1COC2=C(C=C(C=C2)Cl)C(=O)O)Cl)Cl
InChI
InChI=1S/C14H9Cl3O3/c15-9-2-4-13(10(6-9)14(18)19)20-7-8-1-3-11(16)12(17)5-8/h1-6H,7H2,(H,18,19)
InChIKey
YLRVNVFRKCEBEP-UHFFFAOYSA-N
Compound name
5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.96173 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.96901 163.3
[M+Na]+ 352.95095 174.0
[M-H]- 328.95445 167.7
[M+NH4]+ 347.99555 178.4
[M+K]+ 368.92489 167.4
[M+H-H2O]+ 312.95899 159.0
[M+HCOO]- 374.95993 171.1
[M+CH3COO]- 388.97558 203.5
[M+Na-2H]- 350.93640 165.0
[M]+ 329.96118 168.9
[M]- 329.96228 168.9
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.