CID 2779197

3-iodophenylsulfur pentafluoride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

329.89987 Da
Monoisotopic Mass

6.6
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

literature stripe

Patent stripe

patents stripe