CID 138040922

2243509-39-7

Structural Information

Molecular Formula
C8H4BrClO2S3
SMILES
C1=C(SC(=C1)S(=O)(=O)Cl)C2=CC=C(S2)Br
InChI
InChI=1S/C8H4BrClO2S3/c9-7-3-1-5(13-7)6-2-4-8(14-6)15(10,11)12/h1-4H
InChIKey
GKDWRVQHIMEGLE-UHFFFAOYSA-N
Compound name
5-(5-bromothiophen-2-yl)thiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.82452 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.83180 149.6
[M+Na]+ 364.81374 168.3
[M-H]- 340.81724 161.0
[M+NH4]+ 359.85834 173.0
[M+K]+ 380.78768 153.6
[M+H-H2O]+ 324.82178 153.4
[M+HCOO]- 386.82272 156.7
[M+CH3COO]- 400.83837 166.1
[M+Na-2H]- 362.79919 152.7
[M]+ 341.82397 173.8
[M]- 341.82507 173.8
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

No patent data available for this compound.