CID 16226808

N-{2-[4-(2-chloropropanoyl)phenyl]ethyl}acetamide

Structural Information

Molecular Formula
C13H16ClNO2
SMILES
CC(C(=O)C1=CC=C(C=C1)CCNC(=O)C)Cl
InChI
InChI=1S/C13H16ClNO2/c1-9(14)13(17)12-5-3-11(4-6-12)7-8-15-10(2)16/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKey
KVZIMDNIVVWTAC-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-chloropropanoyl)phenyl]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.08696 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09424 156.9
[M+Na]+ 276.07618 163.3
[M-H]- 252.07968 160.2
[M+NH4]+ 271.12078 174.5
[M+K]+ 292.05012 159.6
[M+H-H2O]+ 236.08422 151.4
[M+HCOO]- 298.08516 174.5
[M+CH3COO]- 312.10081 197.4
[M+Na-2H]- 274.06163 158.4
[M]+ 253.08641 159.5
[M]- 253.08751 159.5
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.