CID 75603

Benzenesulfonyl fluoride, 3-(chlorosulfonyl)-

Structural Information

Molecular Formula
C6H4ClFO4S2
SMILES
C1=CC(=CC(=C1)S(=O)(=O)Cl)S(=O)(=O)F
InChI
InChI=1S/C6H4ClFO4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H
InChIKey
ZPGHDPUCQANFAD-UHFFFAOYSA-N
Compound name
3-chlorosulfonylbenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

83
Patents

257.92236 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.92964 144.9
[M+Na]+ 280.91158 155.9
[M-H]- 256.91508 148.2
[M+NH4]+ 275.95618 163.1
[M+K]+ 296.88552 150.5
[M+H-H2O]+ 240.91962 140.1
[M+HCOO]- 302.92056 152.5
[M+CH3COO]- 316.93621 184.2
[M+Na-2H]- 278.89703 149.4
[M]+ 257.92181 149.4
[M]- 257.92291 149.4
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

patents stripe