CID 6913386

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

Structural Information

Molecular Formula
C4H8S2
SMILES
C/C(=C(\C)/S)/S
InChI
InChI=1S/C4H8S2/c1-3(5)4(2)6/h5-6H,1-2H3/b4-3-
InChIKey
VBMZAWQHIKCKPO-ARJAWSKDSA-N
Compound name
(Z)-but-2-ene-2,3-dithiol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

52
Patents

120.006744 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.014020 119.5
[M+Na]+ 142.995962 127.2
[M-H]- 118.999468 120.3
[M+NH4]+ 138.040567 142.5
[M+K]+ 158.969902 125.3
[M+H-H2O]+ 103.004004 115.1
[M+HCOO]- 165.004945 130.3
[M+CH3COO]- 179.020595 170.5
[M+Na-2H]- 140.981410 119.1
[M]+ 120.00619542 120.7
[M]- 120.00729258 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