CID 7275256

N-(3-bromophenyl)-3-(3-fluorophenyl)-2-propenamide

Structural Information

Molecular Formula
C15H11BrFNO
SMILES
C1=CC(=CC(=C1)F)/C=C/C(=O)NC2=CC(=CC=C2)Br
InChI
InChI=1S/C15H11BrFNO/c16-12-4-2-6-14(10-12)18-15(19)8-7-11-3-1-5-13(17)9-11/h1-10H,(H,18,19)/b8-7+
InChIKey
ZHPKXUSISWSMID-BQYQJAHWSA-N
Compound name
(E)-N-(3-bromophenyl)-3-(3-fluorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.0008 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.00808 164.8
[M+Na]+ 341.99002 175.0
[M-H]- 317.99352 172.5
[M+NH4]+ 337.03462 182.4
[M+K]+ 357.96396 161.7
[M+H-H2O]+ 301.99806 162.3
[M+HCOO]- 363.99900 185.7
[M+CH3COO]- 378.01465 203.7
[M+Na-2H]- 339.97547 170.0
[M]+ 319.00025 181.0
[M]- 319.00135 181.0
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.