CID 3294431

116808-69-6

Structural Information

Molecular Formula
C22H17S
SMILES
C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C22H17S/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22/h1-17H/q+1
InChIKey
RSIZHSFCPFZAJC-UHFFFAOYSA-N
Compound name
naphthalen-1-yl(diphenyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1729
Patents

313.1051 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11238 175.3
[M+Na]+ 336.09432 181.8
[M-H]- 312.09782 185.4
[M+NH4]+ 331.13892 190.1
[M+K]+ 352.06826 169.3
[M+H-H2O]+ 296.10236 168.9
[M+HCOO]- 358.10330 191.6
[M+CH3COO]- 372.11895 185.7
[M+Na-2H]- 334.07977 181.7
[M]+ 313.10455 173.7
[M]- 313.10565 173.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe