CID 29785944

4-(2,3-dichlorophenoxy)benzoic acid

Structural Information

Molecular Formula
C13H8Cl2O3
SMILES
C1=CC(=C(C(=C1)Cl)Cl)OC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C13H8Cl2O3/c14-10-2-1-3-11(12(10)15)18-9-6-4-8(5-7-9)13(16)17/h1-7H,(H,16,17)
InChIKey
ACGDYYPHNSLNSS-UHFFFAOYSA-N
Compound name
4-(2,3-dichlorophenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.98505 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.992326 154.1
[M+Na]+ 304.974268 164.6
[M-H]- 280.977774 159.6
[M+NH4]+ 300.018873 170.9
[M+K]+ 320.948208 158.7
[M+H-H2O]+ 264.982310 149.1
[M+HCOO]- 326.983251 167.6
[M+CH3COO]- 340.998901 194.4
[M+Na-2H]- 302.959716 157.9
[M]+ 281.98450142 158.8
[M]- 281.98559858 158.8
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

No patent data available for this compound.