CID 63512976

3-chloro-4-(2,3-dichlorophenoxy)benzoic acid

Structural Information

Molecular Formula
C13H7Cl3O3
SMILES
C1=CC(=C(C(=C1)Cl)Cl)OC2=C(C=C(C=C2)C(=O)O)Cl
InChI
InChI=1S/C13H7Cl3O3/c14-8-2-1-3-11(12(8)16)19-10-5-4-7(13(17)18)6-9(10)15/h1-6H,(H,17,18)
InChIKey
NAFBPXSORBZBRV-UHFFFAOYSA-N
Compound name
3-chloro-4-(2,3-dichlorophenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.94608 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.95336 158.7
[M+Na]+ 338.93530 169.9
[M-H]- 314.93880 163.3
[M+NH4]+ 333.97990 174.4
[M+K]+ 354.90924 163.5
[M+H-H2O]+ 298.94334 154.7
[M+HCOO]- 360.94428 166.8
[M+CH3COO]- 374.95993 200.7
[M+Na-2H]- 336.92075 160.9
[M]+ 315.94553 164.0
[M]- 315.94663 164.0
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.