CID 20649081

5-chloro-4-methylthiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C5H4Cl2O2S2
SMILES
CC1=C(SC(=C1)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C5H4Cl2O2S2/c1-3-2-4(10-5(3)6)11(7,8)9/h2H,1H3
InChIKey
DSTGCHNMTLFDBN-UHFFFAOYSA-N
Compound name
5-chloro-4-methylthiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

229.90298 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.910256 142.5
[M+Na]+ 252.892198 154.8
[M-H]- 228.895704 147.4
[M+NH4]+ 247.936803 164.7
[M+K]+ 268.866138 149.2
[M+H-H2O]+ 212.900240 140.5
[M+HCOO]- 274.901181 147.7
[M+CH3COO]- 288.916831 181.8
[M+Na-2H]- 250.877646 142.7
[M]+ 229.90243142 148.6
[M]- 229.90352858 148.6
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