CID 82254862

N-[3-(2-bromoethyl)phenyl]acetamide

Structural Information

Molecular Formula
C10H12BrNO
SMILES
CC(=O)NC1=CC=CC(=C1)CCBr
InChI
InChI=1S/C10H12BrNO/c1-8(13)12-10-4-2-3-9(7-10)5-6-11/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKey
YLLCXWCDLGRQJK-UHFFFAOYSA-N
Compound name
N-[3-(2-bromoethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

241.01022 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.017496 145.6
[M+Na]+ 263.999438 155.7
[M-H]- 240.002944 151.7
[M+NH4]+ 259.044043 166.5
[M+K]+ 279.973378 144.5
[M+H-H2O]+ 224.007480 144.9
[M+HCOO]- 286.008421 167.5
[M+CH3COO]- 300.024071 191.5
[M+Na-2H]- 261.984886 152.4
[M]+ 241.00967142 163.9
[M]- 241.01076858 163.9
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

patents stripe