CID 59715536

4'-(pentafluorosulfur)acetophenone

Structural Information

Molecular Formula
C8H7F5OS
SMILES
CC(=O)C1=CC=C(C=C1)S(F)(F)(F)(F)F
InChI
InChI=1S/C8H7F5OS/c1-6(14)7-2-4-8(5-3-7)15(9,10,11,12)13/h2-5H,1H3
InChIKey
BKEQOPIQGDSWEQ-UHFFFAOYSA-N
Compound name
1-[4-(pentafluoro-lambda6-sulfanyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

246.01378 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.02106 152.0
[M+Na]+ 269.00300 158.7
[M+NH4]+ 264.04760 156.0
[M+K]+ 284.97694 152.8
[M-H]- 245.00650 147.3
[M+Na-2H]- 266.98845 154.0
[M]+ 246.01323 151.6
[M]- 246.01433 151.6
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