CID 563533

2-benzyltetralin-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

53
Patents

236.12012 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12740 154.1
[M+Na]+ 259.10934 170.1
[M+NH4]+ 254.15394 164.8
[M+K]+ 275.08328 160.2
[M-H]- 235.11284 160.5
[M+Na-2H]- 257.09479 163.9
[M]+ 236.11957 158.4
[M]- 236.12067 158.4
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