CID 165947107

3-bromo-5-chloro-2-fluorobenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C6H2BrClF2O2S
SMILES
C1=C(C=C(C(=C1S(=O)(=O)F)F)Br)Cl
InChI
InChI=1S/C6H2BrClF2O2S/c7-4-1-3(8)2-5(6(4)9)13(10,11)12/h1-2H
InChIKey
BPKVERFQGXGIFO-UHFFFAOYSA-N
Compound name
3-bromo-5-chloro-2-fluorobenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.86154 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.86882 141.8
[M+Na]+ 312.85076 145.0
[M+NH4]+ 307.89536 145.7
[M+K]+ 328.82470 143.9
[M-H]- 288.85426 139.3
[M+Na-2H]- 310.83621 144.1
[M]+ 289.86099 140.9
[M]- 289.86209 140.9
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.