CID 363673

Nsc628746

Structural Information

Molecular Formula
C19H14O6
SMILES
CC(C(=O)O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H14O6/c1-11(18(21)22)24-14-8-7-13-9-15(19(23)25-16(13)10-14)17(20)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22)
InChIKey
JSOGZGCJVIPYCF-UHFFFAOYSA-N
Compound name
2-(3-benzoyl-2-oxochromen-7-yl)oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.07904 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08632 173.8
[M+Na]+ 361.06826 181.1
[M-H]- 337.07176 181.1
[M+NH4]+ 356.11286 185.5
[M+K]+ 377.04220 179.6
[M+H-H2O]+ 321.07630 165.4
[M+HCOO]- 383.07724 192.3
[M+CH3COO]- 397.09289 209.3
[M+Na-2H]- 359.05371 177.2
[M]+ 338.07849 177.9
[M]- 338.07959 177.9
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.