CID 12226096

3-(2-bromophenyl)propanamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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 141.7
[M+Na]+ 249.98380 152.2
[M-H]- 225.98730 147.4
[M+NH4]+ 245.02840 162.8
[M+K]+ 265.95774 140.8
[M+H-H2O]+ 209.99184 141.2
[M+HCOO]- 271.99278 163.4
[M+CH3COO]- 286.00843 188.7
[M+Na-2H]- 247.96925 148.0
[M]+ 226.99403 158.8
[M]- 226.99513 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

No literature data available for this compound.

Patent stripe

patents stripe