CID 22344

Tetrachlorothiophene

Structural Information

Molecular Formula
C4Cl4S
SMILES
C1(=C(SC(=C1Cl)Cl)Cl)Cl
InChI
InChI=1S/C4Cl4S/c5-1-2(6)4(8)9-3(1)7
InChIKey
WZXXZHONLFRKGG-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrachlorothiophene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

4181
Patents

219.84749 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.85477 139.5
[M+Na]+ 242.83671 151.3
[M-H]- 218.84021 141.3
[M+NH4]+ 237.88131 161.0
[M+K]+ 258.81065 145.8
[M+H-H2O]+ 202.84475 138.2
[M+HCOO]- 264.84569 139.8
[M+CH3COO]- 278.86134 151.9
[M+Na-2H]- 240.82216 138.3
[M]+ 219.84694 142.1
[M]- 219.84804 142.1
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