CID 488181

2-[2-(2-hydroxyphenoxy)phenoxy]carbonylbenzoic acid

Structural Information

Molecular Formula
C20H14O6
SMILES
C1=CC=C(C(=C1)C(=O)O)C(=O)OC2=CC=CC=C2OC3=CC=CC=C3O
InChI
InChI=1S/C20H14O6/c21-15-9-3-4-10-16(15)25-17-11-5-6-12-18(17)26-20(24)14-8-2-1-7-13(14)19(22)23/h1-12,21H,(H,22,23)
InChIKey
HCHUJGPPHAYVBU-UHFFFAOYSA-N
Compound name
2-[2-(2-hydroxyphenoxy)phenoxy]carbonylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.07904 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.08632 178.4
[M+Na]+ 373.06826 184.5
[M-H]- 349.07176 185.8
[M+NH4]+ 368.11286 188.9
[M+K]+ 389.04220 181.2
[M+H-H2O]+ 333.07630 169.1
[M+HCOO]- 395.07724 198.3
[M+CH3COO]- 409.09289 207.1
[M+Na-2H]- 371.05371 180.4
[M]+ 350.07849 180.0
[M]- 350.07959 180.0
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

No patent data available for this compound.