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 144.4
[M+Na]+ 266.01943 153.7
[M-H]- 242.02293 149.7
[M+NH4]+ 261.06403 164.6
[M+K]+ 281.99337 141.9
[M+H-H2O]+ 226.02747 141.6
[M+HCOO]- 288.02841 155.1
[M+CH3COO]- 302.04406 185.5
[M+Na-2H]- 264.00488 151.8
[M]+ 243.02966 144.3
[M]- 243.03076 144.3
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.