CID 11095848

75318-43-3

Structural Information

Molecular Formula
C2Cl2NS2
SMILES
C1(=NS[S+]=C1Cl)Cl
InChI
InChI=1S/C2Cl2NS2/c3-1-2(4)6-7-5-1/q+1
InChIKey
PWYFBOHWFBHSEB-UHFFFAOYSA-N
Compound name
4,5-dichlorodithiazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

98
Patents

171.88492 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.89220 120.6
[M+Na]+ 194.87414 132.5
[M-H]- 170.87764 123.9
[M+NH4]+ 189.91874 143.2
[M+K]+ 210.84808 123.1
[M+H-H2O]+ 154.88218 120.4
[M+HCOO]- 216.88312 125.9
[M+CH3COO]- 230.89877 166.2
[M+Na-2H]- 192.85959 124.0
[M]+ 171.88437 122.9
[M]- 171.88547 122.9
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