CID 410077

5466-54-6

Structural Information

Molecular Formula
C4H2N2S2
SMILES
C(#N)C(=C(C#N)S)S
InChI
InChI=1S/C4H2N2S2/c5-1-3(7)4(8)2-6/h7-8H
InChIKey
DMDOIBWPFWJPQJ-UHFFFAOYSA-N
Compound name
2,3-bis(sulfanyl)but-2-enedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

922
Patents

141.96594 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.97322 150.5
[M+Na]+ 164.95516 160.4
[M-H]- 140.95866 154.9
[M+NH4]+ 159.99976 165.7
[M+K]+ 180.92910 160.2
[M+H-H2O]+ 124.96320 136.9
[M+HCOO]- 186.96414 154.9
[M+CH3COO]- 200.97979 208.6
[M+Na-2H]- 162.94061 149.4
[M]+ 141.96539 144.1
[M]- 141.96649 144.1
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