CID 2824953

N-(2-bromobenzyl)acetamide

Structural Information

Molecular Formula
C9H10BrNO
SMILES
CC(=O)NCC1=CC=CC=C1Br
InChI
InChI=1S/C9H10BrNO/c1-7(12)11-6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3,(H,11,12)
InChIKey
BWFCPQHLMPFBQH-UHFFFAOYSA-N
Compound name
N-[(2-bromophenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

34
Patents

226.99458 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 140.2
[M+Na]+ 249.98380 143.1
[M+NH4]+ 245.02840 145.2
[M+K]+ 265.95774 143.0
[M-H]- 225.98730 141.3
[M+Na-2H]- 247.96925 144.2
[M]+ 226.99403 139.7
[M]- 226.99513 139.7
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