CID 2779199

4-iodophenylsulfur pentafluoride

Structural Information

Molecular Formula
C6H4F5IS
SMILES
C1=CC(=CC=C1S(F)(F)(F)(F)F)I
InChI
InChI=1S/C6H4F5IS/c7-13(8,9,10,11)6-3-1-5(12)2-4-6/h1-4H
InChIKey
FRYANWYSCROOCU-UHFFFAOYSA-N
Compound name
pentafluoro-(4-iodophenyl)-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

329.89987 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.90715 132.8
[M+Na]+ 352.88909 136.8
[M-H]- 328.89259 124.5
[M+NH4]+ 347.93369 147.3
[M+K]+ 368.86303 138.7
[M+H-H2O]+ 312.89713 121.0
[M+HCOO]- 374.89807 142.1
[M+CH3COO]- 388.91372 193.5
[M+Na-2H]- 350.87454 123.0
[M]+ 329.89932 125.8
[M]- 329.90042 125.8
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