CID 54595336

1-[4-(2,2,2-trifluoroethanesulfonyl)phenyl]ethan-1-one

Structural Information

Molecular Formula
C10H9F3O3S
SMILES
CC(=O)C1=CC=C(C=C1)S(=O)(=O)CC(F)(F)F
InChI
InChI=1S/C10H9F3O3S/c1-7(14)8-2-4-9(5-3-8)17(15,16)6-10(11,12)13/h2-5H,6H2,1H3
InChIKey
SREAQPREDDJRKY-UHFFFAOYSA-N
Compound name
1-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.02246 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.02974 161.2
[M+Na]+ 289.01168 168.7
[M+NH4]+ 284.05628 165.4
[M+K]+ 304.98562 163.3
[M-H]- 265.01518 156.3
[M+Na-2H]- 286.99713 163.3
[M]+ 266.02191 161.0
[M]- 266.02301 161.0
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

No patent data available for this compound.