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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06630 164.0
[M+Na]+ 296.04824 171.3
[M-H]- 272.05174 167.9
[M+NH4]+ 291.09284 183.4
[M+K]+ 312.02218 167.1
[M+H-H2O]+ 256.05628 159.3
[M+HCOO]- 318.05722 176.6
[M+CH3COO]- 332.07287 196.8
[M+Na-2H]- 294.03369 163.0
[M]+ 273.05847 169.0
[M]- 273.05957 169.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.