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

22
Patents

269.00513 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.01241 152.2
[M+Na]+ 291.99435 161.5
[M-H]- 267.99785 158.2
[M+NH4]+ 287.03895 171.7
[M+K]+ 307.96829 150.9
[M+H-H2O]+ 252.00239 151.3
[M+HCOO]- 314.00333 172.3
[M+CH3COO]- 328.01898 197.1
[M+Na-2H]- 289.97980 156.1
[M]+ 269.00458 170.3
[M]- 269.00568 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