CID 6447057

2-hydroxy-5-((3-oxo-2(3h)-benzofuranylidene)methyl)benzoic acid

Structural Information

Molecular Formula
C16H10O5
SMILES
C1=CC=C2C(=C1)C(=O)/C(=C\C3=CC(=C(C=C3)O)C(=O)O)/O2
InChI
InChI=1S/C16H10O5/c17-12-6-5-9(7-11(12)16(19)20)8-14-15(18)10-3-1-2-4-13(10)21-14/h1-8,17H,(H,19,20)/b14-8+
InChIKey
DCEVWNFKHNVAEK-RIYZIHGNSA-N
Compound name
2-hydroxy-5-[(E)-(3-oxo-1-benzofuran-2-ylidene)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.05283 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.06011 159.8
[M+Na]+ 305.04205 168.9
[M-H]- 281.04555 166.4
[M+NH4]+ 300.08665 175.8
[M+K]+ 321.01599 165.3
[M+H-H2O]+ 265.05009 153.9
[M+HCOO]- 327.05103 179.3
[M+CH3COO]- 341.06668 194.4
[M+Na-2H]- 303.02750 162.6
[M]+ 282.05228 160.7
[M]- 282.05338 160.7
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.