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 139.4
[M+Na]+ 245.95251 152.5
[M-H]- 221.95601 142.9
[M+NH4]+ 240.99711 158.4
[M+K]+ 261.92645 140.2
[M+H-H2O]+ 205.96055 133.0
[M+HCOO]- 267.96149 158.3
[M+CH3COO]- 281.97714 194.6
[M+Na-2H]- 243.93796 145.6
[M]+ 222.96274 149.8
[M]- 222.96384 149.8
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

No patent data available for this compound.