CID 200485

2-methyl-2-phenyl-1h-indene-1,3(2h)-dione

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

3
Patents

236.08372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.090996 151.1
[M+Na]+ 259.072938 161.6
[M-H]- 235.076444 159.7
[M+NH4]+ 254.117543 173.9
[M+K]+ 275.046878 156.8
[M+H-H2O]+ 219.080980 144.9
[M+HCOO]- 281.081921 174.9
[M+CH3COO]- 295.097571 165.3
[M+Na-2H]- 257.058386 156.5
[M]+ 236.08317142 152.0
[M]- 236.08426858 152.0
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

patents stripe