CID 59715536

401892-83-9

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 135.0
[M+Na]+ 269.00300 145.4
[M-H]- 245.00650 133.2
[M+NH4]+ 264.04760 153.2
[M+K]+ 284.97694 141.5
[M+H-H2O]+ 229.01104 126.3
[M+HCOO]- 291.01198 147.7
[M+CH3COO]- 305.02763 190.3
[M+Na-2H]- 266.98845 134.8
[M]+ 246.01323 130.9
[M]- 246.01433 130.9
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