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]+ 294.88930 138.9
[M+Na]+ 316.87124 155.9
[M-H]- 292.87474 146.4
[M+NH4]+ 311.91584 162.5
[M+K]+ 332.84518 143.0
[M+H-H2O]+ 276.87928 140.6
[M+HCOO]- 338.88022 152.0
[M+CH3COO]- 352.89587 191.7
[M+Na-2H]- 314.85669 145.4
[M]+ 293.88147 162.0
[M]- 293.88257 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.