CID 66523442

3-(pentafluorosulfur)benzenesulfonyl chloride

Structural Information

Molecular Formula
C6H4ClF5O2S2
SMILES
C1=CC(=CC(=C1)S(F)(F)(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C6H4ClF5O2S2/c7-15(13,14)5-2-1-3-6(4-5)16(8,9,10,11)12/h1-4H
InChIKey
NNEKBNJEZZMVHF-UHFFFAOYSA-N
Compound name
3-(pentafluoro-lambda6-sulfanyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.92615 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.93343 156.1
[M+Na]+ 324.91537 162.2
[M+NH4]+ 319.95997 159.8
[M+K]+ 340.88931 155.7
[M-H]- 300.91887 150.7
[M+Na-2H]- 322.90082 157.5
[M]+ 301.92560 155.9
[M]- 301.92670 155.9
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.