CID 44426081

Chembl231304

Structural Information

Molecular Formula
C10H10BrNO
SMILES
CC(=O)N/C=C/C1=CC(=CC=C1)Br
InChI
InChI=1S/C10H10BrNO/c1-8(13)12-6-5-9-3-2-4-10(11)7-9/h2-7H,1H3,(H,12,13)/b6-5+
InChIKey
OWTSWKZAANOTIN-AATRIKPKSA-N
Compound name
N-[(E)-2-(3-bromophenyl)ethenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.99458 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.00186 144.1
[M+Na]+ 261.98380 154.6
[M-H]- 237.98730 150.3
[M+NH4]+ 257.02840 165.1
[M+K]+ 277.95774 142.9
[M+H-H2O]+ 221.99184 143.6
[M+HCOO]- 283.99278 166.3
[M+CH3COO]- 298.00843 190.1
[M+Na-2H]- 259.96925 151.0
[M]+ 238.99403 161.8
[M]- 238.99513 161.8
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

No patent data available for this compound.