CID 382245

Nsc669700

Structural Information

Molecular Formula
C8H4N2S2
SMILES
C(CC#CSC#N)C#CSC#N
InChI
InChI=1S/C8H4N2S2/c9-7-11-5-3-1-2-4-6-12-8-10/h1-2H2
InChIKey
CSIXXMVWGHPMTG-UHFFFAOYSA-N
Compound name
6-thiocyanatohexa-1,5-diynyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.9816 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.988876 165.1
[M+Na]+ 214.970818 170.7
[M-H]- 190.974324 170.1
[M+NH4]+ 210.015423 169.9
[M+K]+ 230.944758 170.0
[M+H-H2O]+ 174.978860 158.0
[M+HCOO]- 236.979801 164.4
[M+CH3COO]- 250.995451 243.6
[M+Na-2H]- 212.956266 162.2
[M]+ 191.98105142 161.1
[M]- 191.98214858 161.1
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

No patent data available for this compound.