CID 3248333

4-(2-chlorophenoxy)benzoic acid

Structural Information

Molecular Formula
C13H9ClO3
SMILES
C1=CC=C(C(=C1)OC2=CC=C(C=C2)C(=O)O)Cl
InChI
InChI=1S/C13H9ClO3/c14-11-3-1-2-4-12(11)17-10-7-5-9(6-8-10)13(15)16/h1-8H,(H,15,16)
InChIKey
MVCATMWWLOULMN-UHFFFAOYSA-N
Compound name
4-(2-chlorophenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

248.02402 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.03130 149.5
[M+Na]+ 271.01324 158.7
[M-H]- 247.01674 155.3
[M+NH4]+ 266.05784 166.8
[M+K]+ 286.98718 153.9
[M+H-H2O]+ 231.02128 143.5
[M+HCOO]- 293.02222 168.1
[M+CH3COO]- 307.03787 188.7
[M+Na-2H]- 268.99869 154.7
[M]+ 248.02347 152.4
[M]- 248.02457 152.4
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