CID 321732

N-[4-(2-bromopropanoyl)phenyl]acetamide

Structural Information

Molecular Formula
C11H12BrNO2
SMILES
CC(C(=O)C1=CC=C(C=C1)NC(=O)C)Br
InChI
InChI=1S/C11H12BrNO2/c1-7(12)11(15)9-3-5-10(6-4-9)13-8(2)14/h3-7H,1-2H3,(H,13,14)
InChIKey
LLZKTKZPJBSEHD-UHFFFAOYSA-N
Compound name
N-[4-(2-bromopropanoyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

269.00513 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.012406 152.2
[M+Na]+ 291.994348 161.5
[M-H]- 267.997854 158.2
[M+NH4]+ 287.038953 171.7
[M+K]+ 307.968288 150.9
[M+H-H2O]+ 252.002390 151.3
[M+HCOO]- 314.003331 172.3
[M+CH3COO]- 328.018981 197.1
[M+Na-2H]- 289.979796 156.1
[M]+ 269.00458142 170.3
[M]- 269.00567858 170.3
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

patents stripe