CID 14198293

Thianthrenium, 5-phenyl-, hexafluorophosphate(1-)

Structural Information

Molecular Formula
C18H13S2
SMILES
C1=CC=C(C=C1)[S+]2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C18H13S2/c1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20/h1-13H/q+1
InChIKey
NYWSOZIZKAROHJ-UHFFFAOYSA-N
Compound name
5-phenylthianthren-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

322
Patents

293.04587 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.05315 150.5
[M+Na]+ 316.03509 170.1
[M+NH4]+ 311.07969 164.6
[M+K]+ 332.00903 156.4
[M-H]- 292.03859 160.6
[M+Na-2H]- 314.02054 163.1
[M]+ 293.04532 158.0
[M]- 293.04642 158.0
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