CID 253238

2-(2-naphthyl)-1-thiaindene

Structural Information

Molecular Formula
C18H12S
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=CC4=CC=CC=C4S3
InChI
InChI=1S/C18H12S/c1-2-6-14-11-16(10-9-13(14)5-1)18-12-15-7-3-4-8-17(15)19-18/h1-12H
InChIKey
VXNMJAGOXHIGRF-UHFFFAOYSA-N
Compound name
2-naphthalen-2-yl-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

260.06598 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07326 156.2
[M+Na]+ 283.05520 167.9
[M-H]- 259.05870 165.9
[M+NH4]+ 278.09980 177.8
[M+K]+ 299.02914 161.1
[M+H-H2O]+ 243.06324 150.0
[M+HCOO]- 305.06418 176.5
[M+CH3COO]- 319.07983 170.2
[M+Na-2H]- 281.04065 162.2
[M]+ 260.06543 159.9
[M]- 260.06653 159.9
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