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 138.6
[M+Na]+ 252.93900 151.2
[M-H]- 228.94250 145.0
[M+NH4]+ 247.98360 161.3
[M+K]+ 268.91294 138.1
[M+H-H2O]+ 212.94704 140.1
[M+HCOO]- 274.94798 155.5
[M+CH3COO]- 288.96363 186.7
[M+Na-2H]- 250.92445 145.7
[M]+ 229.94923 158.0
[M]- 229.95033 158.0
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