CID 563533

2-benzyl-1,2,3,4-tetrahydronaphthalen-1-one

Structural Information

Molecular Formula
C17H16O
SMILES
C1CC2=CC=CC=C2C(=O)C1CC3=CC=CC=C3
InChI
InChI=1S/C17H16O/c18-17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17/h1-9,15H,10-12H2
InChIKey
LWBKNBIUKKTGEJ-UHFFFAOYSA-N
Compound name
2-benzyl-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

57
Patents

236.12012 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.127396 152.8
[M+Na]+ 259.109338 159.6
[M-H]- 235.112844 159.8
[M+NH4]+ 254.153943 171.2
[M+K]+ 275.083278 154.6
[M+H-H2O]+ 219.117380 145.0
[M+HCOO]- 281.118321 173.5
[M+CH3COO]- 295.133971 165.0
[M+Na-2H]- 257.094786 158.9
[M]+ 236.11957142 150.1
[M]- 236.12066858 150.1
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