CID 225394

2-(2,4-dihydroxybenzoyl)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

137
Patents

258.05283 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06011 155.4
[M+Na]+ 281.04205 167.9
[M+NH4]+ 276.08665 161.3
[M+K]+ 297.01599 163.8
[M-H]- 257.04555 156.8
[M+Na-2H]- 279.02750 161.5
[M]+ 258.05228 157.3
[M]- 258.05338 157.3
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

patents stripe