CID 22238787

2-bromo-3-phenylpropanamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

226.99458 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.001856 143.0
[M+Na]+ 249.983798 152.3
[M-H]- 225.987304 148.4
[M+NH4]+ 245.028403 163.7
[M+K]+ 265.957738 141.4
[M+H-H2O]+ 209.991840 142.4
[M+HCOO]- 271.992781 163.7
[M+CH3COO]- 286.008431 188.5
[M+Na-2H]- 247.969246 148.7
[M]+ 226.99403142 159.1
[M]- 226.99512858 159.1
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