CID 12123

N-(3-bromophenyl)acetamide

Structural Information

Molecular Formula
C8H8BrNO
SMILES
CC(=O)NC1=CC(=CC=C1)Br
InChI
InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)
InChIKey
XXHOHJTVFUJJMT-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

329
Patents

212.97893 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.98621 136.2
[M+Na]+ 235.96815 147.2
[M-H]- 211.97165 142.7
[M+NH4]+ 231.01275 158.3
[M+K]+ 251.94209 136.5
[M+H-H2O]+ 195.97619 136.0
[M+HCOO]- 257.97713 158.9
[M+CH3COO]- 271.99278 185.9
[M+Na-2H]- 233.95360 144.2
[M]+ 212.97838 153.9
[M]- 212.97948 153.9
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