CID 55894

3,3,4,5-tetrachloro-3h-1,2-dithiole

Structural Information

Molecular Formula
C3Cl4S2
SMILES
C1(=C(SSC1(Cl)Cl)Cl)Cl
InChI
InChI=1S/C3Cl4S2/c4-1-2(5)8-9-3(1,6)7
InChIKey
YXMZIQBPZNCGMY-UHFFFAOYSA-N
Compound name
3,3,4,5-tetrachlorodithiole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.81955 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.82683 139.0
[M+Na]+ 262.80877 149.6
[M-H]- 238.81227 141.0
[M+NH4]+ 257.85337 161.2
[M+K]+ 278.78271 144.4
[M+H-H2O]+ 222.81681 139.2
[M+HCOO]- 284.81775 133.5
[M+CH3COO]- 298.83340 150.6
[M+Na-2H]- 260.79422 137.7
[M]+ 239.81900 140.3
[M]- 239.82010 140.3
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

patents stripe