CID 13683458

104293-07-4

Structural Information

Molecular Formula
C9H8BrCl
SMILES
C1=CC(=CC=C1/C=C/CCl)Br
InChI
InChI=1S/C9H8BrCl/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6H,7H2/b2-1+
InChIKey
MWYBPNFKLPDFBX-OWOJBTEDSA-N
Compound name
1-bromo-4-[(E)-3-chloroprop-1-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

229.94978 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.95706 139.3
[M+Na]+ 252.93900 144.8
[M+NH4]+ 247.98360 145.5
[M+K]+ 268.91294 142.3
[M-H]- 228.94250 140.8
[M+Na-2H]- 250.92445 144.3
[M]+ 229.94923 139.7
[M]- 229.95033 139.7
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