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]+ 254.09424 154.7
[M+Na]+ 276.07618 164.1
[M-H]- 252.07968 159.1
[M+NH4]+ 271.12078 173.3
[M+K]+ 292.05012 160.2
[M+H-H2O]+ 236.08422 150.0
[M+HCOO]- 298.08516 173.3
[M+CH3COO]- 312.10081 200.2
[M+Na-2H]- 274.06163 155.5
[M]+ 253.08641 159.1
[M]- 253.08751 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.