CID 10976707

188802-38-2

Structural Information

Molecular Formula
C10H9Br
SMILES
C1=CC=C(C=C1)/C=C/C=C/Br
InChI
InChI=1S/C10H9Br/c11-9-5-4-8-10-6-2-1-3-7-10/h1-9H/b8-4+,9-5+
InChIKey
RHFAWXPHDBNIKS-KBXRYBNXSA-N
Compound name
[(1E,3E)-4-bromobuta-1,3-dienyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

207.98875 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.99603 137.0
[M+Na]+ 230.97797 148.1
[M-H]- 206.98147 143.0
[M+NH4]+ 226.02257 159.5
[M+K]+ 246.95191 135.9
[M+H-H2O]+ 190.98601 137.6
[M+HCOO]- 252.98695 159.2
[M+CH3COO]- 267.00260 182.1
[M+Na-2H]- 228.96342 145.8
[M]+ 207.98820 154.4
[M]- 207.98930 154.4
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