CID 12273139

3-(4-bromophenyl)propanamide

Structural Information

Molecular Formula
C9H10BrNO
SMILES
C1=CC(=CC=C1CCC(=O)N)Br
InChI
InChI=1S/C9H10BrNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H2,11,12)
InChIKey
MSYVIHNLCVUBFM-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

226.99458 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.001856 141.7
[M+Na]+ 249.983798 152.2
[M-H]- 225.987304 147.4
[M+NH4]+ 245.028403 162.8
[M+K]+ 265.957738 140.8
[M+H-H2O]+ 209.991840 141.2
[M+HCOO]- 271.992781 163.4
[M+CH3COO]- 286.008431 188.7
[M+Na-2H]- 247.969246 148.0
[M]+ 226.99403142 158.8
[M]- 226.99512858 158.8
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