CID 75537242

2-bromobenzenesulfonyl fluoride

Structural Information

Molecular Formula
C6H4BrFO2S
SMILES
C1=CC=C(C(=C1)S(=O)(=O)F)Br
InChI
InChI=1S/C6H4BrFO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H
InChIKey
CVLBPNVZAWKPFN-UHFFFAOYSA-N
Compound name
2-bromobenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

237.90994 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.91722 129.4
[M+Na]+ 260.89916 143.4
[M-H]- 236.90266 135.5
[M+NH4]+ 255.94376 151.6
[M+K]+ 276.87310 131.8
[M+H-H2O]+ 220.90720 129.8
[M+HCOO]- 282.90814 145.9
[M+CH3COO]- 296.92379 183.2
[M+Na-2H]- 258.88461 137.0
[M]+ 237.90939 149.2
[M]- 237.91049 149.2
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