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 141.3
[M+Na]+ 300.89407 157.8
[M-H]- 276.89757 149.7
[M+NH4]+ 295.93867 164.0
[M+K]+ 316.86801 147.5
[M+H-H2O]+ 260.90211 142.8
[M+HCOO]- 322.90305 158.9
[M+CH3COO]- 336.91870 189.2
[M+Na-2H]- 298.87952 149.9
[M]+ 277.90430 165.4
[M]- 277.90540 165.4
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.