CID 3044203

Mono((2,3-dihydro-1,3-dioxo-2-phenyl-1h-inden-2-yl)methyl) propanedioate

Structural Information

Molecular Formula
C19H14O6
SMILES
C1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)COC(=O)CC(=O)O
InChI
InChI=1S/C19H14O6/c20-15(21)10-16(22)25-11-19(12-6-2-1-3-7-12)17(23)13-8-4-5-9-14(13)18(19)24/h1-9H,10-11H2,(H,20,21)
InChIKey
JQVPXWADPOJISU-UHFFFAOYSA-N
Compound name
3-[(1,3-dioxo-2-phenylinden-2-yl)methoxy]-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.07904 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08632 175.9
[M+Na]+ 361.06826 187.0
[M+NH4]+ 356.11286 182.9
[M+K]+ 377.04220 181.9
[M-H]- 337.07176 177.1
[M+Na-2H]- 359.05371 181.6
[M]+ 338.07849 177.6
[M]- 338.07959 177.6
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.