CID 11075263

1-(3-bromoprop-1-en-2-yl)-3-chlorobenzene

Structural Information

Molecular Formula
C9H8BrCl
SMILES
C=C(CBr)C1=CC(=CC=C1)Cl
InChI
InChI=1S/C9H8BrCl/c1-7(6-10)8-3-2-4-9(11)5-8/h2-5H,1,6H2
InChIKey
ODHBCJBLKRADFK-UHFFFAOYSA-N
Compound name
1-(3-bromoprop-1-en-2-yl)-3-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

229.94978 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.95706 138.1
[M+Na]+ 252.93900 143.3
[M+NH4]+ 247.98360 144.2
[M+K]+ 268.91294 141.6
[M-H]- 228.94250 139.5
[M+Na-2H]- 250.92445 142.9
[M]+ 229.94923 138.4
[M]- 229.95033 138.4
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