CID 84711079

3,6-dichloro-2-fluorobenzenesulfonyl chloride

Structural Information

Molecular Formula
C6H2Cl3FO2S
SMILES
C1=CC(=C(C(=C1Cl)F)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C6H2Cl3FO2S/c7-3-1-2-4(8)6(5(3)10)13(9,11)12/h1-2H
InChIKey
TWLCGJUQNLZYNG-UHFFFAOYSA-N
Compound name
3,6-dichloro-2-fluorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

261.8825 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.88978 147.6
[M+Na]+ 284.87172 161.2
[M+NH4]+ 279.91632 155.6
[M+K]+ 300.84566 152.7
[M-H]- 260.87522 147.1
[M+Na-2H]- 282.85717 152.9
[M]+ 261.88195 150.6
[M]- 261.88305 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.