CID 54338644

2-(thiophen-3-yl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H7ClO2S2
SMILES
C1=CSC=C1CCS(=O)(=O)Cl
InChI
InChI=1S/C6H7ClO2S2/c7-11(8,9)4-2-6-1-3-10-5-6/h1,3,5H,2,4H2
InChIKey
TXIKMGHOCOINDM-UHFFFAOYSA-N
Compound name
2-thiophen-3-ylethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

209.9576 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.96488 142.0
[M+Na]+ 232.94682 152.5
[M-H]- 208.95032 146.4
[M+NH4]+ 227.99142 164.2
[M+K]+ 248.92076 147.7
[M+H-H2O]+ 192.95486 138.4
[M+HCOO]- 254.95580 152.0
[M+CH3COO]- 268.97145 177.8
[M+Na-2H]- 230.93227 143.5
[M]+ 209.95705 147.2
[M]- 209.95815 147.2
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