CID 5365559

(3e)-5-bromopenta-1,3-diene

Structural Information

Molecular Formula
C5H7Br
SMILES
C=C/C=C/CBr
InChI
InChI=1S/C5H7Br/c1-2-3-4-5-6/h2-4H,1,5H2/b4-3+
InChIKey
LGKANOVVJSORFA-ONEGZZNKSA-N
Compound name
(3E)-5-bromopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

145.97311 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.98039 123.6
[M+Na]+ 168.96233 126.2
[M+NH4]+ 164.00693 128.8
[M+K]+ 184.93627 125.4
[M-H]- 144.96583 122.5
[M+Na-2H]- 166.94778 125.8
[M]+ 145.97256 122.3
[M]- 145.97366 122.3
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