CID 22681926

4-(2,4-dichlorophenoxy)benzoic acid

Structural Information

Molecular Formula
C13H8Cl2O3
SMILES
C1=CC(=CC=C1C(=O)O)OC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H8Cl2O3/c14-9-3-6-12(11(15)7-9)18-10-4-1-8(2-5-10)13(16)17/h1-7H,(H,16,17)
InChIKey
NCPJMYHBNJYQDB-UHFFFAOYSA-N
Compound name
4-(2,4-dichlorophenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.98505 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.99233 156.2
[M+Na]+ 304.97427 172.5
[M+NH4]+ 300.01887 164.9
[M+K]+ 320.94821 164.6
[M-H]- 280.97777 159.9
[M+Na-2H]- 302.95972 165.1
[M]+ 281.98450 160.3
[M]- 281.98560 160.3
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