CID 21363372

S-(4-thiophenoxyphenyl)thianthrenium hexafluoroantimonate

Structural Information

Molecular Formula
C24H17S3
SMILES
C1=CC=C(C=C1)SC2=CC=C(C=C2)[S+]3C4=CC=CC=C4SC5=CC=CC=C53
InChI
InChI=1S/C24H17S3/c1-2-8-18(9-3-1)25-19-14-16-20(17-15-19)27-23-12-6-4-10-21(23)26-22-11-5-7-13-24(22)27/h1-17H/q+1
InChIKey
UIJWRIIHAOZQIC-UHFFFAOYSA-N
Compound name
5-(4-phenylsulfanylphenyl)thianthren-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

401.04922 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.05650 184.1
[M+Na]+ 424.03844 192.5
[M-H]- 400.04194 193.1
[M+NH4]+ 419.08304 196.9
[M+K]+ 440.01238 177.4
[M+H-H2O]+ 384.04648 178.8
[M+HCOO]- 446.04742 189.2
[M+CH3COO]- 460.06307 192.7
[M+Na-2H]- 422.02389 190.9
[M]+ 401.04867 182.6
[M]- 401.04977 182.6
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