CID 23233210

4-fluorophenylsulfur pentafluoride

Structural Information

Molecular Formula
C6H4F6S
SMILES
C1=CC(=CC=C1F)S(F)(F)(F)(F)F
InChI
InChI=1S/C6H4F6S/c7-5-1-3-6(4-2-5)13(8,9,10,11)12/h1-4H
InChIKey
MURGBRJOSPNBEL-UHFFFAOYSA-N
Compound name
pentafluoro-(4-fluorophenyl)-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

221.99379 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.00107 125.7
[M+Na]+ 244.98301 137.1
[M-H]- 220.98651 122.8
[M+NH4]+ 240.02761 144.9
[M+K]+ 260.95695 132.9
[M+H-H2O]+ 204.99105 116.4
[M+HCOO]- 266.99199 138.5
[M+CH3COO]- 281.00764 185.4
[M+Na-2H]- 242.96846 126.9
[M]+ 221.99324 119.4
[M]- 221.99434 119.4
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