CID 329059

79005-54-2

Structural Information

Molecular Formula
C6H3Cl2FO4S2
SMILES
C1=CC(=C(C=C1S(=O)(=O)F)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C6H3Cl2FO4S2/c7-5-2-1-4(15(9,12)13)3-6(5)14(8,10)11/h1-3H
InChIKey
KPAMMSNSYXURNH-UHFFFAOYSA-N
Compound name
4-chloro-3-chlorosulfonylbenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.8834 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.89068 148.6
[M+Na]+ 314.87262 160.2
[M-H]- 290.87612 152.0
[M+NH4]+ 309.91722 166.1
[M+K]+ 330.84656 154.0
[M+H-H2O]+ 274.88066 145.1
[M+HCOO]- 336.88160 151.3
[M+CH3COO]- 350.89725 190.0
[M+Na-2H]- 312.85807 152.0
[M]+ 291.88285 154.2
[M]- 291.88395 154.2
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.