CID 4961884

N-[3-(2-chloroacetyl)-2,4,6-trimethylphenyl]acetamide

Structural Information

Molecular Formula
C13H16ClNO2
SMILES
CC1=CC(=C(C(=C1C(=O)CCl)C)NC(=O)C)C
InChI
InChI=1S/C13H16ClNO2/c1-7-5-8(2)13(15-10(4)16)9(3)12(7)11(17)6-14/h5H,6H2,1-4H3,(H,15,16)
InChIKey
BCEROUJKBXVEOK-UHFFFAOYSA-N
Compound name
N-[3-(2-chloroacetyl)-2,4,6-trimethylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.08696 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.094236 154.7
[M+Na]+ 276.076178 164.1
[M-H]- 252.079684 159.1
[M+NH4]+ 271.120783 173.3
[M+K]+ 292.050118 160.2
[M+H-H2O]+ 236.084220 150.0
[M+HCOO]- 298.085161 173.3
[M+CH3COO]- 312.100811 200.2
[M+Na-2H]- 274.061626 155.5
[M]+ 253.08641142 159.1
[M]- 253.08750858 159.1
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.