CID 4760

Phenindione

Structural Information

Molecular Formula
C15H10O2
SMILES
C1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H
InChIKey
NFBAXHOPROOJAW-UHFFFAOYSA-N
Compound name
2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

963
References

11663
Patents

222.06808 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07536 146.3
[M+Na]+ 245.05730 156.2
[M-H]- 221.06080 154.7
[M+NH4]+ 240.10190 167.6
[M+K]+ 261.03124 151.5
[M+H-H2O]+ 205.06534 140.0
[M+HCOO]- 267.06628 170.4
[M+CH3COO]- 281.08193 160.5
[M+Na-2H]- 243.04275 151.2
[M]+ 222.06753 146.5
[M]- 222.06863 146.5
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