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]+ 290.868816 135.2
[M+Na]+ 312.850758 151.6
[M-H]- 288.854264 140.7
[M+NH4]+ 307.895363 156.7
[M+K]+ 328.824698 137.7
[M+H-H2O]+ 272.858800 135.9
[M+HCOO]- 334.859741 146.4
[M+CH3COO]- 348.875391 191.5
[M+Na-2H]- 310.836206 140.9
[M]+ 289.86099142 156.4
[M]- 289.86208858 156.4
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.