CID 5369403

Alpha-bromocinnamaldehyde

Structural Information

Molecular Formula
C9H7BrO
SMILES
C1=CC=C(C=C1)/C=C(/C=O)\Br
InChI
InChI=1S/C9H7BrO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H/b9-6-
InChIKey
WQRWNOKNRHCLHV-TWGQIWQCSA-N
Compound name
(Z)-2-bromo-3-phenylprop-2-enal
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

1103
Patents

209.96803 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.97531 135.9
[M+Na]+ 232.95725 146.9
[M-H]- 208.96075 142.2
[M+NH4]+ 228.00185 158.2
[M+K]+ 248.93119 135.9
[M+H-H2O]+ 192.96529 136.5
[M+HCOO]- 254.96623 157.6
[M+CH3COO]- 268.98188 182.4
[M+Na-2H]- 230.94270 143.9
[M]+ 209.96748 153.8
[M]- 209.96858 153.8
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