CID 458240

2-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)benzoic acid

Structural Information

Molecular Formula
C15H10O4
SMILES
C1=CC=C2C(=C1)C(OC2=O)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C15H10O4/c16-14(17)11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)15(18)19-13/h1-8,13H,(H,16,17)
InChIKey
UBTNYTYIXDTYQT-UHFFFAOYSA-N
Compound name
2-(3-oxo-1H-2-benzofuran-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0579 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06518 152.9
[M+Na]+ 277.04712 161.9
[M-H]- 253.05062 160.7
[M+NH4]+ 272.09172 170.7
[M+K]+ 293.02106 159.2
[M+H-H2O]+ 237.05516 146.9
[M+HCOO]- 299.05610 173.9
[M+CH3COO]- 313.07175 191.6
[M+Na-2H]- 275.03257 157.2
[M]+ 254.05735 154.2
[M]- 254.05845 154.2
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.