CID 69998607

6-bromobenzo[b]thiophene 1,1-dioxide

Structural Information

Molecular Formula
C8H5BrO2S
SMILES
C1=CC(=CC2=C1C=CS2(=O)=O)Br
InChI
InChI=1S/C8H5BrO2S/c9-7-2-1-6-3-4-12(10,11)8(6)5-7/h1-5H
InChIKey
RLNMVIHJGUEPEA-UHFFFAOYSA-N
Compound name
6-bromo-1-benzothiophene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

243.91936 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.92664 132.3
[M+Na]+ 266.90858 148.5
[M-H]- 242.91208 141.2
[M+NH4]+ 261.95318 159.4
[M+K]+ 282.88252 137.1
[M+H-H2O]+ 226.91662 135.1
[M+HCOO]- 288.91756 151.6
[M+CH3COO]- 302.93321 150.1
[M+Na-2H]- 264.89403 140.6
[M]+ 243.91881 155.3
[M]- 243.91991 155.3
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