CID 166463460

2703016-98-0

Structural Information

Molecular Formula
C14H11S2
SMILES
C=C[S+]1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C14H11S2/c1-2-16-13-9-5-3-7-11(13)15-12-8-4-6-10-14(12)16/h2-10H,1H2/q+1
InChIKey
TVNDKOCFIFCWMJ-UHFFFAOYSA-N
Compound name
5-ethenylthianthren-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.03021 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.03749 139.9
[M+Na]+ 266.01943 157.4
[M+NH4]+ 261.06403 153.3
[M+K]+ 281.99337 144.9
[M-H]- 242.02293 147.3
[M+Na-2H]- 264.00488 149.2
[M]+ 243.02966 146.2
[M]- 243.03076 146.2
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

No patent data available for this compound.