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

30
Patents

229.90298 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.91026 142.5
[M+Na]+ 252.89220 154.8
[M-H]- 228.89570 147.4
[M+NH4]+ 247.93680 164.7
[M+K]+ 268.86614 149.2
[M+H-H2O]+ 212.90024 140.5
[M+HCOO]- 274.90118 147.7
[M+CH3COO]- 288.91683 181.8
[M+Na-2H]- 250.87765 142.7
[M]+ 229.90243 148.6
[M]- 229.90353 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