CID 6814

2-(4-hydroxybenzoyl)benzoic acid

Structural Information

Molecular Formula
C14H10O4
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C14H10O4/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8,15H,(H,17,18)
InChIKey
YGTUPRIZNBMOFV-UHFFFAOYSA-N
Compound name
2-(4-hydroxybenzoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

17567
Patents

242.0579 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06518 150.7
[M+Na]+ 265.04712 158.0
[M-H]- 241.05062 155.2
[M+NH4]+ 260.09172 166.3
[M+K]+ 281.02106 154.6
[M+H-H2O]+ 225.05516 143.9
[M+HCOO]- 287.05610 171.3
[M+CH3COO]- 301.07175 187.8
[M+Na-2H]- 263.03257 154.0
[M]+ 242.05735 149.9
[M]- 242.05845 149.9
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