CID 262755

2-(phenyldithio)naphthalene

Structural Information

Molecular Formula
C16H12S2
SMILES
C1=CC=C(C=C1)SSC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C16H12S2/c1-2-8-15(9-3-1)17-18-16-11-10-13-6-4-5-7-14(13)12-16/h1-12H
InChIKey
AKYXDWIFSBADDX-UHFFFAOYSA-N
Compound name
2-(phenyldisulfanyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

268.03806 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.04534 153.5
[M+Na]+ 291.02728 162.8
[M-H]- 267.03078 160.8
[M+NH4]+ 286.07188 171.9
[M+K]+ 307.00122 155.7
[M+H-H2O]+ 251.03532 147.0
[M+HCOO]- 313.03626 167.0
[M+CH3COO]- 327.05191 165.8
[M+Na-2H]- 289.01273 158.6
[M]+ 268.03751 155.8
[M]- 268.03861 155.8
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