CID 294854

Benzo[b]thiophene, 3-(2-naphthalenyl)-

Structural Information

Molecular Formula
C18H12S
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=CSC4=CC=CC=C43
InChI
InChI=1S/C18H12S/c1-2-6-14-11-15(10-9-13(14)5-1)17-12-19-18-8-4-3-7-16(17)18/h1-12H
InChIKey
BZUUVEAFJXNFER-UHFFFAOYSA-N
Compound name
3-naphthalen-2-yl-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.06598 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07326 154.7
[M+Na]+ 283.05520 173.1
[M+NH4]+ 278.09980 167.4
[M+K]+ 299.02914 161.7
[M-H]- 259.05870 162.7
[M+Na-2H]- 281.04065 166.2
[M]+ 260.06543 160.6
[M]- 260.06653 160.6
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