CID 137951911

3-bromo-1-benzothiophene-2-sulfonyl fluoride

Structural Information

Molecular Formula
C8H4BrFO2S2
SMILES
C1=CC=C2C(=C1)C(=C(S2)S(=O)(=O)F)Br
InChI
InChI=1S/C8H4BrFO2S2/c9-7-5-3-1-2-4-6(5)13-8(7)14(10,11)12/h1-4H
InChIKey
ZQIGHBQFOULNCW-UHFFFAOYSA-N
Compound name
3-bromo-1-benzothiophene-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.88202 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.889296 138.9
[M+Na]+ 316.871238 155.9
[M-H]- 292.874744 146.4
[M+NH4]+ 311.915843 162.5
[M+K]+ 332.845178 143.0
[M+H-H2O]+ 276.879280 140.6
[M+HCOO]- 338.880221 152.0
[M+CH3COO]- 352.895871 191.7
[M+Na-2H]- 314.856686 145.4
[M]+ 293.88147142 162.0
[M]- 293.88256858 162.0
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.