CID 129051172

1956368-15-2

Structural Information

Molecular Formula
C15H12BrNO
SMILES
C=CC(=O)N(C1=CC=CC=C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C15H12BrNO/c1-2-15(18)17(13-6-4-3-5-7-13)14-10-8-12(16)9-11-14/h2-11H,1H2
InChIKey
WFQQVUPOAKOTGT-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-N-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

301.01022 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.01750 160.6
[M+Na]+ 323.99944 170.1
[M-H]- 300.00294 170.7
[M+NH4]+ 319.04404 179.3
[M+K]+ 339.97338 158.6
[M+H-H2O]+ 284.00748 158.9
[M+HCOO]- 346.00842 183.0
[M+CH3COO]- 360.02407 204.0
[M+Na-2H]- 321.98489 166.5
[M]+ 301.00967 178.8
[M]- 301.01077 178.8
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

patents stripe