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

136
Patents

258.05283 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.060106 153.6
[M+Na]+ 281.042048 161.1
[M-H]- 257.045554 157.1
[M+NH4]+ 276.086653 168.0
[M+K]+ 297.015988 157.7
[M+H-H2O]+ 241.050090 147.0
[M+HCOO]- 303.051031 172.8
[M+CH3COO]- 317.066681 189.0
[M+Na-2H]- 279.027496 155.8
[M]+ 258.05228142 152.8
[M]- 258.05337858 152.8
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