CID 122236159

5-bromo-2-chlorobenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C6H3BrClFO2S
SMILES
C1=CC(=C(C=C1Br)S(=O)(=O)F)Cl
InChI
InChI=1S/C6H3BrClFO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H
InChIKey
IKGCZGNHGHPKND-UHFFFAOYSA-N
Compound name
5-bromo-2-chlorobenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.87097 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.87825 132.9
[M+Na]+ 294.86019 148.6
[M-H]- 270.86369 139.5
[M+NH4]+ 289.90479 155.0
[M+K]+ 310.83413 135.2
[M+H-H2O]+ 254.86823 134.4
[M+HCOO]- 316.86917 145.1
[M+CH3COO]- 330.88482 187.8
[M+Na-2H]- 292.84564 139.8
[M]+ 271.87042 154.9
[M]- 271.87152 154.9
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.