CID 6452745

Carbonotrithioic acid, di-2-propenyl ester

Structural Information

Molecular Formula
C7H10S3
SMILES
C=CCSC(=S)SCC=C
InChI
InChI=1S/C7H10S3/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2
InChIKey
DYSMOGGGBHQVBC-UHFFFAOYSA-N
Compound name
bis(prop-2-enylsulfanyl)methanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

189.99446 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00174 136.5
[M+Na]+ 212.98368 143.6
[M-H]- 188.98718 135.9
[M+NH4]+ 208.02828 156.1
[M+K]+ 228.95762 137.0
[M+H-H2O]+ 172.99172 131.1
[M+HCOO]- 234.99266 141.5
[M+CH3COO]- 249.00831 182.0
[M+Na-2H]- 210.96913 134.2
[M]+ 189.99391 137.0
[M]- 189.99501 137.0
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