CID 22556397

174728-86-0

Structural Information

Molecular Formula
C11H10N2S3
SMILES
C=CC1=CC=C(C=C1)CSC2=NNC(=S)S2
InChI
InChI=1S/C11H10N2S3/c1-2-8-3-5-9(6-4-8)7-15-11-13-12-10(14)16-11/h2-6H,1,7H2,(H,12,14)
InChIKey
DIJJEDVDBPLRLK-UHFFFAOYSA-N
Compound name
5-[(4-ethenylphenyl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

266.0006 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.00788 153.6
[M+Na]+ 288.98982 165.7
[M+NH4]+ 284.03442 162.4
[M+K]+ 304.96376 154.5
[M-H]- 264.99332 156.8
[M+Na-2H]- 286.97527 158.5
[M]+ 266.00005 157.6
[M]- 266.00115 157.6
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