CID 155820979

2490430-03-8

Structural Information

Molecular Formula
C8H4BrFO3S
SMILES
C1=CC2=C(C=C1Br)C=C(O2)S(=O)(=O)F
InChI
InChI=1S/C8H4BrFO3S/c9-6-1-2-7-5(3-6)4-8(13-7)14(10,11)12/h1-4H
InChIKey
KKTWXMKKQPYWHP-UHFFFAOYSA-N
Compound name
5-bromo-1-benzofuran-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.90485 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.91213 141.9
[M+Na]+ 300.89407 145.3
[M+NH4]+ 295.93867 146.4
[M+K]+ 316.86801 146.3
[M-H]- 276.89757 141.6
[M+Na-2H]- 298.87952 144.2
[M]+ 277.90430 141.6
[M]- 277.90540 141.6
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.