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

49
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 119.5
[M+Na]+ 142.99596 127.2
[M-H]- 118.99947 120.3
[M+NH4]+ 138.04057 142.5
[M+K]+ 158.96990 125.3
[M+H-H2O]+ 103.00400 115.1
[M+HCOO]- 165.00494 130.3
[M+CH3COO]- 179.02060 170.5
[M+Na-2H]- 140.98141 119.1
[M]+ 120.00620 120.7
[M]- 120.00729 120.7
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