CID 3054949

3-methyl-6-phenyl-1-indanone

Structural Information

Molecular Formula
C16H14O
SMILES
CC1CC(=O)C2=C1C=CC(=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H14O/c1-11-9-16(17)15-10-13(7-8-14(11)15)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3
InChIKey
MGBNTDJKXLILSH-UHFFFAOYSA-N
Compound name
3-methyl-6-phenyl-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.10446 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11174 148.7
[M+Na]+ 245.09368 158.0
[M-H]- 221.09718 156.9
[M+NH4]+ 240.13828 170.2
[M+K]+ 261.06762 153.2
[M+H-H2O]+ 205.10172 142.4
[M+HCOO]- 267.10266 172.1
[M+CH3COO]- 281.11831 162.6
[M+Na-2H]- 243.07913 153.0
[M]+ 222.10391 148.5
[M]- 222.10501 148.5
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

No patent data available for this compound.