CID 12352700

5-bromo-2,3-dihydro-1lambda6-benzothiophene-1,1-dione

Structural Information

Molecular Formula
C8H7BrO2S
SMILES
C1CS(=O)(=O)C2=C1C=C(C=C2)Br
InChI
InChI=1S/C8H7BrO2S/c9-7-1-2-8-6(5-7)3-4-12(8,10)11/h1-2,5H,3-4H2
InChIKey
MNWPIGZDBXJGCE-UHFFFAOYSA-N
Compound name
5-bromo-2,3-dihydro-1-benzothiophene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

245.93501 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.94229 134.2
[M+Na]+ 268.92423 149.4
[M-H]- 244.92773 142.6
[M+NH4]+ 263.96883 161.1
[M+K]+ 284.89817 138.1
[M+H-H2O]+ 228.93227 136.9
[M+HCOO]- 290.93321 152.1
[M+CH3COO]- 304.94886 184.6
[M+Na-2H]- 266.90968 141.5
[M]+ 245.93446 155.8
[M]- 245.93556 155.8
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

patents stripe