CID 43082597

N-(3-bromophenyl)prop-2-ynamide

Structural Information

Molecular Formula
C9H6BrNO
SMILES
C#CC(=O)NC1=CC(=CC=C1)Br
InChI
InChI=1S/C9H6BrNO/c1-2-9(12)11-8-5-3-4-7(10)6-8/h1,3-6H,(H,11,12)
InChIKey
OJMHFECEPQYCBK-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)prop-2-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.96329 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.97057 140.3
[M+Na]+ 245.95251 144.0
[M+NH4]+ 240.99711 142.3
[M+K]+ 261.92645 140.8
[M-H]- 221.95601 134.4
[M+Na-2H]- 243.93796 141.8
[M]+ 222.96274 137.4
[M]- 222.96384 137.4
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

No patent data available for this compound.