CID 54595337

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

Structural Information

Molecular Formula
C10H10F2O3S
SMILES
CC(=O)C1=CC=C(C=C1)S(=O)(=O)CC(F)F
InChI
InChI=1S/C10H10F2O3S/c1-7(13)8-2-4-9(5-3-8)16(14,15)6-10(11)12/h2-5,10H,6H2,1H3
InChIKey
SUHSCSXTBSWBOG-UHFFFAOYSA-N
Compound name
1-[4-(2,2-difluoroethylsulfonyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.03188 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.03916 154.0
[M+Na]+ 271.02110 162.7
[M+NH4]+ 266.06570 159.3
[M+K]+ 286.99504 156.9
[M-H]- 247.02460 151.0
[M+Na-2H]- 269.00655 157.0
[M]+ 248.03133 154.5
[M]- 248.03243 154.5
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.