CID 2560371

N-{[5-(2-chloroacetyl)thiophen-2-yl]methyl}-2,2-dimethylpropanamide

Structural Information

Molecular Formula

C₁₂H₁₆ClNO₂S

SMILES

CC(C)(C)C(=O)NCC1=CC=C(S1)C(=O)CCl

InChI

InChI=1S/C12H16ClNO2S/c1-12(2,3)11(16)14-7-8-4-5-10(17-8)9(15)6-13/h4-5H,6-7H2,1-3H3,(H,14,16)

InChIKey

YNZOBMUDBJQAJA-UHFFFAOYSA-N

Compound name

N-[[5-(2-chloroacetyl)thiophen-2-yl]methyl]-2,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.05902 Da
Monoisotopic Mass: 2.8
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]+	274.066296	164.0
[M+Na]+	296.048238	171.3
[M-H]-	272.051744	167.9
[M+NH4]+	291.092843	183.4
[M+K]+	312.022178	167.1
[M+H-H2O]+	256.056280	159.3
[M+HCOO]-	318.057221	176.6
[M+CH3COO]-	332.072871	196.8
[M+Na-2H]-	294.033686	163.0
[M]+	273.05847142	169.0
[M]-	273.05956858	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.