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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	265.034076	149.3
[M+Na]+	287.016018	158.2
[M-H]-	263.019524	150.9
[M+NH4]+	282.060623	166.4
[M+K]+	302.989958	155.9
[M+H-H2O]+	247.024060	141.9
[M+HCOO]-	309.025001	163.9
[M+CH3COO]-	323.040651	193.6
[M+Na-2H]-	285.001466	150.1
[M]+	264.02625142	152.1
[M]-	264.02734858	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.