CID 14914484

27318-06-5

Structural Information

Molecular Formula
C9H8BrNO
SMILES
C1=CC(=CC=C1/C=C/C(=O)N)Br
InChI
InChI=1S/C9H8BrNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H2,11,12)/b6-3+
InChIKey
PFAWHKGYPQXDSK-ZZXKWVIFSA-N
Compound name
(E)-3-(4-bromophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

224.97893 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.986206 140.3
[M+Na]+ 247.968148 151.1
[M-H]- 223.971654 146.1
[M+NH4]+ 243.012753 161.5
[M+K]+ 263.942088 139.2
[M+H-H2O]+ 207.976190 139.9
[M+HCOO]- 269.977131 162.2
[M+CH3COO]- 283.992781 187.3
[M+Na-2H]- 245.953596 146.6
[M]+ 224.97838142 156.7
[M]- 224.97947858 156.7
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

patents stripe