CID 9881279

2-bromo-n-(2-phenylethyl)acetamide

Structural Information

Molecular Formula
C10H12BrNO
SMILES
C1=CC=C(C=C1)CCNC(=O)CBr
InChI
InChI=1S/C10H12BrNO/c11-8-10(13)12-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChIKey
NIFSTJXZBDBHDF-UHFFFAOYSA-N
Compound name
2-bromo-N-(2-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

241.01022 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01750 146.1
[M+Na]+ 263.99944 155.3
[M-H]- 240.00294 151.8
[M+NH4]+ 259.04404 166.7
[M+K]+ 279.97338 144.1
[M+H-H2O]+ 224.00748 145.3
[M+HCOO]- 286.00842 168.1
[M+CH3COO]- 300.02407 190.5
[M+Na-2H]- 261.98489 153.5
[M]+ 241.00967 164.1
[M]- 241.01077 164.1
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