CID 145664

N-benzyl-2-bromoacetamide

Structural Information

Molecular Formula
C9H10BrNO
SMILES
C1=CC=C(C=C1)CNC(=O)CBr
InChI
InChI=1S/C9H10BrNO/c10-6-9(12)11-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChIKey
SXCURSCBIMAPDV-UHFFFAOYSA-N
Compound name
N-benzyl-2-bromoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

226.99458 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 140.9
[M+Na]+ 249.98380 143.4
[M+NH4]+ 245.02840 145.8
[M+K]+ 265.95774 143.0
[M-H]- 225.98730 141.9
[M+Na-2H]- 247.96925 144.9
[M]+ 226.99403 140.2
[M]- 226.99513 140.2
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

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