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 149.3
[M+Na]+ 287.01602 158.2
[M-H]- 263.01952 150.9
[M+NH4]+ 282.06062 166.4
[M+K]+ 302.98996 155.9
[M+H-H2O]+ 247.02406 141.9
[M+HCOO]- 309.02500 163.9
[M+CH3COO]- 323.04065 193.6
[M+Na-2H]- 285.00147 150.1
[M]+ 264.02625 152.1
[M]- 264.02735 152.1
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.