CID 2764449

4-[(3,4-dichlorobenzyl)oxy]benzoic acid

Structural Information

Molecular Formula
C14H10Cl2O3
SMILES
C1=CC(=CC=C1C(=O)O)OCC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H10Cl2O3/c15-12-6-1-9(7-13(12)16)8-19-11-4-2-10(3-5-11)14(17)18/h1-7H,8H2,(H,17,18)
InChIKey
ZCGYVYRMBOFTPZ-UHFFFAOYSA-N
Compound name
4-[(3,4-dichlorophenyl)methoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
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

literature stripe

Patent stripe

patents stripe