CID 3829104

2-chloro-n-(3-oxo-1-phenylbutan-2-yl)acetamide

Structural Information

Molecular Formula
C12H14ClNO2
SMILES
CC(=O)C(CC1=CC=CC=C1)NC(=O)CCl
InChI
InChI=1S/C12H14ClNO2/c1-9(15)11(14-12(16)8-13)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,16)
InChIKey
ZWSFVDCOYNLKDQ-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-oxo-1-phenylbutan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

239.0713 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07858 152.9
[M+Na]+ 262.06052 158.8
[M-H]- 238.06402 156.0
[M+NH4]+ 257.10512 170.7
[M+K]+ 278.03446 155.3
[M+H-H2O]+ 222.06856 147.3
[M+HCOO]- 284.06950 170.9
[M+CH3COO]- 298.08515 193.2
[M+Na-2H]- 260.04597 155.6
[M]+ 239.07075 154.8
[M]- 239.07185 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.