CID 99939025

2-bromo-4-fluorobenzenesulfonyl fluoride

Structural Information

Molecular Formula
C6H3BrF2O2S
SMILES
C1=CC(=C(C=C1F)Br)S(=O)(=O)F
InChI
InChI=1S/C6H3BrF2O2S/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3H
InChIKey
ONERXDMQVCUGBT-UHFFFAOYSA-N
Compound name
2-bromo-4-fluorobenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.90051 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.90779 132.1
[M+Na]+ 278.88973 146.8
[M-H]- 254.89323 137.1
[M+NH4]+ 273.93433 153.7
[M+K]+ 294.86367 134.8
[M+H-H2O]+ 238.89777 131.7
[M+HCOO]- 300.89871 147.5
[M+CH3COO]- 314.91436 186.8
[M+Na-2H]- 276.87518 138.4
[M]+ 255.89996 151.1
[M]- 255.90106 151.1
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.