CID 16664496

(2z)-2-bromopent-2-enal

Structural Information

Molecular Formula
C5H7BrO
SMILES
CC/C=C(/C=O)\Br
InChI
InChI=1S/C5H7BrO/c1-2-3-5(6)4-7/h3-4H,2H2,1H3/b5-3-
InChIKey
IZSZHEZCHRTYBO-HYXAFXHYSA-N
Compound name
(Z)-2-bromopent-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

161.96803 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.97531 125.1
[M+Na]+ 184.95725 136.7
[M-H]- 160.96075 128.5
[M+NH4]+ 180.00185 149.4
[M+K]+ 200.93119 126.6
[M+H-H2O]+ 144.96529 126.4
[M+HCOO]- 206.96623 146.4
[M+CH3COO]- 220.98188 175.6
[M+Na-2H]- 182.94270 132.7
[M]+ 161.96748 143.7
[M]- 161.96858 143.7
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