CID 5131548

4-{[(4-hydroxyphenyl)carbonyl]oxy}benzoic acid

Structural Information

Molecular Formula
C14H10O5
SMILES
C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)C(=O)O)O
InChI
InChI=1S/C14H10O5/c15-11-5-1-10(2-6-11)14(18)19-12-7-3-9(4-8-12)13(16)17/h1-8,15H,(H,16,17)
InChIKey
XEWYFIXXJRNLJV-UHFFFAOYSA-N
Compound name
4-(4-hydroxybenzoyl)oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

153
Patents

258.05283 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06011 153.8
[M+Na]+ 281.04205 161.0
[M-H]- 257.04555 158.4
[M+NH4]+ 276.08665 168.8
[M+K]+ 297.01599 158.3
[M+H-H2O]+ 241.05009 146.8
[M+HCOO]- 303.05103 174.6
[M+CH3COO]- 317.06668 189.3
[M+Na-2H]- 279.02750 157.2
[M]+ 258.05228 154.4
[M]- 258.05338 154.4
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

No patent data available for this compound.