CID 225683

573-22-8

Structural Information

Molecular Formula
C14H12O
SMILES
C1CC2=C(C=CC3=CC=CC=C23)C(=O)C1
InChI
InChI=1S/C14H12O/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-2,4-5,8-9H,3,6-7H2
InChIKey
KBARGPSSEIXDQU-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-phenanthren-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

84
Patents

196.08882 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.096096 139.3
[M+Na]+ 219.078038 147.4
[M-H]- 195.081544 144.5
[M+NH4]+ 214.122643 160.7
[M+K]+ 235.051978 143.0
[M+H-H2O]+ 179.086080 132.8
[M+HCOO]- 241.087021 159.4
[M+CH3COO]- 255.102671 152.5
[M+Na-2H]- 217.063486 147.8
[M]+ 196.08827142 136.9
[M]- 196.08936858 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.