CID 3043667

55916-23-9

Structural Information

Molecular Formula
C17H12O4
SMILES
CC1=CC(=CC=C1)C2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O
InChI
InChI=1S/C17H12O4/c1-9-3-2-4-10(7-9)14-15(18)12-6-5-11(17(20)21)8-13(12)16(14)19/h2-8,14H,1H3,(H,20,21)
InChIKey
RDGJXKVVNLBASX-UHFFFAOYSA-N
Compound name
2-(3-methylphenyl)-1,3-dioxoindene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.07355 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.080826 160.2
[M+Na]+ 303.062768 170.0
[M-H]- 279.066274 167.7
[M+NH4]+ 298.107373 178.6
[M+K]+ 319.036708 165.5
[M+H-H2O]+ 263.070810 154.1
[M+HCOO]- 325.071751 181.5
[M+CH3COO]- 339.087401 199.2
[M+Na-2H]- 301.048216 161.3
[M]+ 280.07300142 161.6
[M]- 280.07409858 161.6
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.