CID 87454206

4-chlorothiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C4H2Cl2O2S2
SMILES
C1=C(SC=C1Cl)S(=O)(=O)Cl
InChI
InChI=1S/C4H2Cl2O2S2/c5-3-1-4(9-2-3)10(6,7)8/h1-2H
InChIKey
KPRYGKBEZSAAFX-UHFFFAOYSA-N
Compound name
4-chlorothiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

215.88733 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.894606 139.0
[M+Na]+ 238.876548 151.0
[M-H]- 214.880054 143.8
[M+NH4]+ 233.921153 161.5
[M+K]+ 254.850488 145.7
[M+H-H2O]+ 198.884590 136.9
[M+HCOO]- 260.885531 144.6
[M+CH3COO]- 274.901181 177.8
[M+Na-2H]- 236.861996 140.2
[M]+ 215.88678142 144.4
[M]- 215.88787858 144.4
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

patents stripe