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 175.2
[M+Na]+ 361.06826 183.0
[M-H]- 337.07176 181.9
[M+NH4]+ 356.11286 192.3
[M+K]+ 377.04220 179.5
[M+H-H2O]+ 321.07630 168.7
[M+HCOO]- 383.07724 195.3
[M+CH3COO]- 397.09289 206.0
[M+Na-2H]- 359.05371 177.0
[M]+ 338.07849 178.3
[M]- 338.07959 178.3
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.