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

45
Patents

224.97893 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.98621 140.3
[M+Na]+ 247.96815 151.1
[M-H]- 223.97165 146.1
[M+NH4]+ 243.01275 161.5
[M+K]+ 263.94209 139.2
[M+H-H2O]+ 207.97619 139.9
[M+HCOO]- 269.97713 162.2
[M+CH3COO]- 283.99278 187.3
[M+Na-2H]- 245.95360 146.6
[M]+ 224.97838 156.7
[M]- 224.97948 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