CID 71351804

1322-77-6

Structural Information

Molecular Formula
C15H12O5
SMILES
C1=CC=C(C(=C1)C(=O)COC2=CC=CC=C2C(=O)O)O
InChI
InChI=1S/C15H12O5/c16-12-7-3-1-5-10(12)13(17)9-20-14-8-4-2-6-11(14)15(18)19/h1-8,16H,9H2,(H,18,19)
InChIKey
AHRSDJSWAISEMM-UHFFFAOYSA-N
Compound name
2-[2-(2-hydroxyphenyl)-2-oxoethoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

272.06848 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.075756 158.2
[M+Na]+ 295.057698 164.8
[M-H]- 271.061204 162.5
[M+NH4]+ 290.102303 172.5
[M+K]+ 311.031638 161.9
[M+H-H2O]+ 255.065740 150.9
[M+HCOO]- 317.066681 178.6
[M+CH3COO]- 331.082331 193.0
[M+Na-2H]- 293.043146 161.1
[M]+ 272.06793142 159.2
[M]- 272.06902858 159.2
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.