CID 2761269

152382-18-8

Structural Information

Molecular Formula
C9H6Cl2N2S2
SMILES
CSC(=NC#N)SC1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C9H6Cl2N2S2/c1-14-9(13-5-12)15-8-6(10)3-2-4-7(8)11/h2-4H,1H3
InChIKey
NQIWJQGWHAGHTA-UHFFFAOYSA-N
Compound name
[(2,6-dichlorophenyl)sulfanyl-methylsulfanylmethylidene]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.93494 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.94222 161.3
[M+Na]+ 298.92416 173.3
[M-H]- 274.92766 166.9
[M+NH4]+ 293.96876 178.8
[M+K]+ 314.89810 167.2
[M+H-H2O]+ 258.93220 151.4
[M+HCOO]- 320.93314 164.7
[M+CH3COO]- 334.94879 207.3
[M+Na-2H]- 296.90961 161.1
[M]+ 275.93439 161.6
[M]- 275.93549 161.6
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.