CID 257586

4'-(methylsulfonyl)acetanilide

Structural Information

Molecular Formula
C9H11NO3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C
InChI
InChI=1S/C9H11NO3S/c1-7(11)10-8-3-5-9(6-4-8)14(2,12)13/h3-6H,1-2H3,(H,10,11)
InChIKey
SJYUABJSWXGSAO-UHFFFAOYSA-N
Compound name
N-(4-methylsulfonylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

213.04596 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05324 145.2
[M+Na]+ 236.03518 155.6
[M+NH4]+ 231.07978 152.3
[M+K]+ 252.00912 149.4
[M-H]- 212.03868 145.9
[M+Na-2H]- 234.02063 150.4
[M]+ 213.04541 147.2
[M]- 213.04651 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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