CID 200485

1,3-indandione, 2-methyl-2-phenyl-

Structural Information

Molecular Formula
C16H12O2
SMILES
CC1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C16H12O2/c1-16(11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)15(16)18/h2-10H,1H3
InChIKey
GFZAUOLOWQXZAL-UHFFFAOYSA-N
Compound name
2-methyl-2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.08372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09100 152.1
[M+Na]+ 259.07294 167.2
[M+NH4]+ 254.11754 163.3
[M+K]+ 275.04688 158.7
[M-H]- 235.07644 157.0
[M+Na-2H]- 257.05839 161.8
[M]+ 236.08317 156.0
[M]- 236.08427 156.0
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

No patent data available for this compound.