CID 84711079

1706436-29-4

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
Annotation Hits

0
References

0
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 139.9
[M+Na]+ 284.87172 152.5
[M-H]- 260.87522 142.5
[M+NH4]+ 279.91632 159.0
[M+K]+ 300.84566 146.5
[M+H-H2O]+ 244.87976 137.3
[M+HCOO]- 306.88070 143.5
[M+CH3COO]- 320.89635 189.1
[M+Na-2H]- 282.85717 142.5
[M]+ 261.88195 144.5
[M]- 261.88305 144.5
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.