CID 11948

2-benzylnaphthalene

Structural Information

Molecular Formula
C17H14
SMILES
C1=CC=C(C=C1)CC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C17H14/c1-2-6-14(7-3-1)12-15-10-11-16-8-4-5-9-17(16)13-15/h1-11,13H,12H2
InChIKey
JASHTKAXQWIZGF-UHFFFAOYSA-N
Compound name
2-benzylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

462
Patents

218.10954 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11682 147.9
[M+Na]+ 241.09876 155.7
[M-H]- 217.10226 155.3
[M+NH4]+ 236.14336 167.1
[M+K]+ 257.07270 150.3
[M+H-H2O]+ 201.10680 140.3
[M+HCOO]- 263.10774 171.1
[M+CH3COO]- 277.12339 161.0
[M+Na-2H]- 239.08421 156.9
[M]+ 218.10899 147.0
[M]- 218.11009 147.0
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