CID 70309

1h-indene-1,2,3-trione

Structural Information

Molecular Formula
C9H4O3
SMILES
C1=CC=C2C(=C1)C(=O)C(=O)C2=O
InChI
InChI=1S/C9H4O3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-4H
InChIKey
WVZWEMOFSIEEMU-UHFFFAOYSA-N
Compound name
indene-1,2,3-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

295
Patents

160.01604 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.02332 123.3
[M+Na]+ 183.00526 136.7
[M-H]- 159.00876 129.8
[M+NH4]+ 178.04986 147.8
[M+K]+ 198.97920 133.8
[M+H-H2O]+ 143.01330 118.9
[M+HCOO]- 205.01424 151.3
[M+CH3COO]- 219.02989 175.5
[M+Na-2H]- 180.99071 131.4
[M]+ 160.01549 127.7
[M]- 160.01659 127.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe