CID 170139

Nickel, bis[2-butene-2,3-dithiolato(2-)-.kappa.s,.kappa.s']-, (sp-4-1)-

Structural Information

Molecular Formula
C4H8S2
SMILES
CC(=C(C)S)S
InChI
InChI=1S/C4H8S2/c1-3(5)4(2)6/h5-6H,1-2H3
InChIKey
VBMZAWQHIKCKPO-UHFFFAOYSA-N
Compound name
but-2-ene-2,3-dithiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

120.006744 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.01402 123.8
[M+Na]+ 142.99596 133.5
[M+NH4]+ 138.04057 133.4
[M+K]+ 158.96990 124.9
[M-H]- 118.99947 124.4
[M+Na-2H]- 140.98141 126.3
[M]+ 120.00620 126.2
[M]- 120.00729 126.2
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