CID 98146

3-phenyl-1-indanone

Structural Information

Molecular Formula
C15H12O
SMILES
C1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C15H12O/c16-15-10-14(11-6-2-1-3-7-11)12-8-4-5-9-13(12)15/h1-9,14H,10H2
InChIKey
SIUOTMYWHGODQX-UHFFFAOYSA-N
Compound name
3-phenyl-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

669
Patents

208.08882 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09610 144.4
[M+Na]+ 231.07804 153.2
[M-H]- 207.08154 152.4
[M+NH4]+ 226.12264 166.1
[M+K]+ 247.05198 148.5
[M+H-H2O]+ 191.08608 137.9
[M+HCOO]- 253.08702 168.1
[M+CH3COO]- 267.10267 158.3
[M+Na-2H]- 229.06349 149.9
[M]+ 208.08827 143.4
[M]- 208.08937 143.4
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