CID 24054

4-phenyl-1,2-dihydronaphthalene

Structural Information

Molecular Formula
C16H14
SMILES
C1CC2=CC=CC=C2C(=C1)C3=CC=CC=C3
InChI
InChI=1S/C16H14/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-5,7-9,11-12H,6,10H2
InChIKey
JKTVTLYXBAHXCW-UHFFFAOYSA-N
Compound name
4-phenyl-1,2-dihydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

206.10954 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.116816 144.4
[M+Na]+ 229.098758 151.6
[M-H]- 205.102264 151.6
[M+NH4]+ 224.143363 164.0
[M+K]+ 245.072698 146.6
[M+H-H2O]+ 189.106800 136.9
[M+HCOO]- 251.107741 166.5
[M+CH3COO]- 265.123391 157.3
[M+Na-2H]- 227.084206 152.9
[M]+ 206.10899142 141.7
[M]- 206.11008858 141.7
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