CID 66523518

4-(pentafluorosulfur)benzenesulfonyl chloride

Structural Information

Molecular Formula
C6H4ClF5O2S2
SMILES
C1=CC(=CC=C1S(=O)(=O)Cl)S(F)(F)(F)(F)F
InChI
InChI=1S/C6H4ClF5O2S2/c7-15(13,14)5-1-3-6(4-2-5)16(8,9,10,11)12/h1-4H
InChIKey
LQEOIYDDOVVHIF-UHFFFAOYSA-N
Compound name
4-(pentafluoro-lambda6-sulfanyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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 138.3
[M+Na]+ 324.91537 150.1
[M-H]- 300.91887 136.6
[M+NH4]+ 319.95997 155.1
[M+K]+ 340.88931 143.5
[M+H-H2O]+ 284.92341 131.0
[M+HCOO]- 346.92435 141.6
[M+CH3COO]- 360.94000 193.5
[M+Na-2H]- 322.90082 139.0
[M]+ 301.92560 137.1
[M]- 301.92670 137.1
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