CID 2778216

2-bromo-4-fluorobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H3BrClFO2S
SMILES
C1=CC(=C(C=C1F)Br)S(=O)(=O)Cl
InChI
InChI=1S/C6H3BrClFO2S/c7-5-3-4(9)1-2-6(5)12(8,10)11/h1-3H
InChIKey
GJPWPFVLPNTOOL-UHFFFAOYSA-N
Compound name
2-bromo-4-fluorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

271.87097 Da
Monoisotopic Mass

2.7
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

literature stripe

Patent stripe

patents stripe