CID 2761228

109305-66-0

Structural Information

Molecular Formula
C6H5ClN4S4
SMILES
CSC(=NC#N)SCSC1=NC(=NS1)Cl
InChI
InChI=1S/C6H5ClN4S4/c1-12-5(9-2-8)13-3-14-6-10-4(7)11-15-6/h3H2,1H3
InChIKey
VICKFTKHXKNTLB-UHFFFAOYSA-N
Compound name
[(3-chloro-1,2,4-thiadiazol-5-yl)sulfanylmethylsulfanyl-methylsulfanylmethylidene]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.90857 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.91585 167.1
[M+Na]+ 318.89779 178.8
[M-H]- 294.90129 169.7
[M+NH4]+ 313.94239 181.8
[M+K]+ 334.87173 173.2
[M+H-H2O]+ 278.90583 155.8
[M+HCOO]- 340.90677 163.0
[M+CH3COO]- 354.92242 175.5
[M+Na-2H]- 316.88324 165.4
[M]+ 295.90802 164.3
[M]- 295.90912 164.3
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.