CID 47002524

1-(4-difluoromethanesulfonyl-3-methoxyphenyl)ethan-1-one

Structural Information

Molecular Formula
C10H10F2O4S
SMILES
CC(=O)C1=CC(=C(C=C1)S(=O)(=O)C(F)F)OC
InChI
InChI=1S/C10H10F2O4S/c1-6(13)7-3-4-9(8(5-7)16-2)17(14,15)10(11)12/h3-5,10H,1-2H3
InChIKey
ZKDJXUXDVGZLKH-UHFFFAOYSA-N
Compound name
1-[4-(difluoromethylsulfonyl)-3-methoxyphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0268 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.03408 157.4
[M+Na]+ 287.01602 166.0
[M+NH4]+ 282.06062 162.2
[M+K]+ 302.98996 160.8
[M-H]- 263.01952 153.9
[M+Na-2H]- 285.00147 159.7
[M]+ 264.02625 157.7
[M]- 264.02735 157.7
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.