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]+ 281.08083 160.2
[M+Na]+ 303.06277 170.0
[M-H]- 279.06627 167.7
[M+NH4]+ 298.10737 178.6
[M+K]+ 319.03671 165.5
[M+H-H2O]+ 263.07081 154.1
[M+HCOO]- 325.07175 181.5
[M+CH3COO]- 339.08740 199.2
[M+Na-2H]- 301.04822 161.3
[M]+ 280.07300 161.6
[M]- 280.07410 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.