CID 9942464

Phenylsulfur pentafluoride

Structural Information

Molecular Formula
C6H5F5S
SMILES
C1=CC=C(C=C1)S(F)(F)(F)(F)F
InChI
InChI=1S/C6H5F5S/c7-12(8,9,10,11)6-4-2-1-3-5-6/h1-5H
InChIKey
DMNYFEWFSFTYEL-UHFFFAOYSA-N
Compound name
pentafluoro(phenyl)-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

386
Patents

204.00322 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.01050 123.7
[M+Na]+ 226.99244 134.2
[M-H]- 202.99594 121.8
[M+NH4]+ 222.03704 143.5
[M+K]+ 242.96638 130.5
[M+H-H2O]+ 187.00048 115.2
[M+HCOO]- 249.00142 137.7
[M+CH3COO]- 263.01707 181.4
[M+Na-2H]- 224.97789 126.2
[M]+ 204.00267 118.3
[M]- 204.00377 118.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe