CID 350636

100377-90-0

Structural Information

Molecular Formula
C8H10N2S3
SMILES
C=CCSC1=NN=C(S1)SCC=C
InChI
InChI=1S/C8H10N2S3/c1-3-5-11-7-9-10-8(13-7)12-6-4-2/h3-4H,1-2,5-6H2
InChIKey
BYRUAQOKMKJTFU-UHFFFAOYSA-N
Compound name
2,5-bis(prop-2-enylsulfanyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

230.00061 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00789 144.3
[M+Na]+ 252.98983 154.8
[M-H]- 228.99333 145.0
[M+NH4]+ 248.03443 162.5
[M+K]+ 268.96377 148.0
[M+H-H2O]+ 212.99787 138.5
[M+HCOO]- 274.99881 151.0
[M+CH3COO]- 289.01446 187.7
[M+Na-2H]- 250.97528 142.0
[M]+ 230.00006 147.0
[M]- 230.00116 147.0
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