CID 2466744

N-[4-(2-chloroacetyl)phenyl]-n-methylmethanesulfonamide

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₃S

SMILES

CN(C1=CC=C(C=C1)C(=O)CCl)S(=O)(=O)C

InChI

InChI=1S/C10H12ClNO3S/c1-12(16(2,14)15)9-5-3-8(4-6-9)10(13)7-11/h3-6H,7H2,1-2H3

InChIKey

SJHKTPIFTYDPOD-UHFFFAOYSA-N

Compound name

N-[4-(2-chloroacetyl)phenyl]-N-methylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.02264 Da
Monoisotopic Mass: 1.3
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]+	262.029916	152.1
[M+Na]+	284.011858	160.6
[M-H]-	260.015364	157.8
[M+NH4]+	279.056463	170.6
[M+K]+	299.985798	157.5
[M+H-H2O]+	244.019900	147.0
[M+HCOO]-	306.020841	166.6
[M+CH3COO]-	320.036491	196.0
[M+Na-2H]-	281.997306	155.1
[M]+	261.02209142	158.5
[M]-	261.02318858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.