CID 2761249

(2-chlorophenyl) methyl cyanocarbonimidodithioate

Structural Information

Molecular Formula
C9H7ClN2S2
SMILES
CSC(=NC#N)SC1=CC=CC=C1Cl
InChI
InChI=1S/C9H7ClN2S2/c1-13-9(12-6-11)14-8-5-3-2-4-7(8)10/h2-5H,1H3
InChIKey
DRHCVTARQLZMQG-UHFFFAOYSA-N
Compound name
[(2-chlorophenyl)sulfanyl-methylsulfanylmethylidene]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.97392 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.98120 156.2
[M+Na]+ 264.96314 167.4
[M-H]- 240.96664 161.9
[M+NH4]+ 260.00774 174.3
[M+K]+ 280.93708 162.2
[M+H-H2O]+ 224.97118 144.9
[M+HCOO]- 286.97212 163.9
[M+CH3COO]- 300.98777 202.4
[M+Na-2H]- 262.94859 157.1
[M]+ 241.97337 155.4
[M]- 241.97447 155.4
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.