CID 155943752

3-bromo-6-chloro-2-fluorobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H2BrCl2FO2S
SMILES
C1=CC(=C(C(=C1Cl)S(=O)(=O)Cl)F)Br
InChI
InChI=1S/C6H2BrCl2FO2S/c7-3-1-2-4(8)6(5(3)10)13(9,11)12/h1-2H
InChIKey
WTUZNQXMQDJFIN-UHFFFAOYSA-N
Compound name
3-bromo-6-chloro-2-fluorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.832 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.83928 141.9
[M+Na]+ 328.82122 146.5
[M+NH4]+ 323.86582 146.7
[M+K]+ 344.79516 144.8
[M-H]- 304.82472 140.6
[M+Na-2H]- 326.80667 145.0
[M]+ 305.83145 141.9
[M]- 305.83255 141.9
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.