CID 2775503

387350-34-7

Structural Information

Molecular Formula

C₁₀H₉F₃O₃S

SMILES

CS(=O)(=O)CC(=O)C1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C10H9F3O3S/c1-17(15,16)6-9(14)7-4-2-3-5-8(7)10(11,12)13/h2-5H,6H2,1H3

InChIKey

SCGOBFQQPDHVJD-UHFFFAOYSA-N

Compound name

2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 266.02246 Da
Monoisotopic Mass: 1.9
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]+	267.02974	161.2
[M+Na]+	289.01168	168.7
[M+NH4]+	284.05628	165.4
[M+K]+	304.98562	163.3
[M-H]-	265.01518	156.3
[M+Na-2H]-	286.99713	163.3
[M]+	266.02191	161.0
[M]-	266.02301	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe