CID 71756103

7-bromo-1-benzothiophene-3-sulfonyl chloride

Structural Information

Molecular Formula
C8H4BrClO2S2
SMILES
C1=CC2=C(C(=C1)Br)SC=C2S(=O)(=O)Cl
InChI
InChI=1S/C8H4BrClO2S2/c9-6-3-1-2-5-7(14(10,11)12)4-13-8(5)6/h1-4H
InChIKey
YBICLYBAXMMORD-UHFFFAOYSA-N
Compound name
7-bromo-1-benzothiophene-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.85245 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.85973 141.8
[M+Na]+ 332.84167 159.6
[M-H]- 308.84517 150.9
[M+NH4]+ 327.88627 165.8
[M+K]+ 348.81561 145.6
[M+H-H2O]+ 292.84971 145.4
[M+HCOO]- 354.85065 151.5
[M+CH3COO]- 368.86630 192.7
[M+Na-2H]- 330.82712 148.6
[M]+ 309.85190 167.5
[M]- 309.85300 167.5
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.