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 147.0
[M+Na]+ 271.02110 155.4
[M-H]- 247.02460 148.4
[M+NH4]+ 266.06570 164.6
[M+K]+ 286.99504 152.5
[M+H-H2O]+ 231.02914 139.7
[M+HCOO]- 293.03008 161.5
[M+CH3COO]- 307.04573 190.3
[M+Na-2H]- 269.00655 148.3
[M]+ 248.03133 148.1
[M]- 248.03243 148.1
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.