CID 12321

Divinyl sulfide

Structural Information

Molecular Formula
C4H6S
SMILES
C=CSC=C
InChI
InChI=1S/C4H6S/c1-3-5-4-2/h3-4H,1-2H2
InChIKey
UIYCHXAGWOYNNA-UHFFFAOYSA-N
Compound name
ethenylsulfanylethene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

66
References

18394
Patents

86.01902 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.026296 112.3
[M+Na]+ 109.00824 121.1
[M-H]- 85.011744 113.4
[M+NH4]+ 104.05284 136.9
[M+K]+ 124.98218 119.4
[M+H-H2O]+ 69.016280 108.5
[M+HCOO]- 131.01722 131.7
[M+CH3COO]- 145.03287 163.4
[M+Na-2H]- 106.99369 116.9
[M]+ 86.018471 113.6
[M]- 86.019569 113.6
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