CID 419853

1,2,3-triphenylnaphthalene

Structural Information

Molecular Formula
C28H20
SMILES
C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=C2C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H20/c1-4-12-21(13-5-1)26-20-24-18-10-11-19-25(24)27(22-14-6-2-7-15-22)28(26)23-16-8-3-9-17-23/h1-20H
InChIKey
NVAZDJPCSPGJJZ-UHFFFAOYSA-N
Compound name
1,2,3-triphenylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

356.1565 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16378 189.5
[M+Na]+ 379.14572 196.5
[M-H]- 355.14922 202.0
[M+NH4]+ 374.19032 201.7
[M+K]+ 395.11966 187.6
[M+H-H2O]+ 339.15376 177.7
[M+HCOO]- 401.15470 210.5
[M+CH3COO]- 415.17035 199.4
[M+Na-2H]- 377.13117 194.8
[M]+ 356.15595 186.9
[M]- 356.15705 186.9
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