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

5
Patents

229.94978 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.957056 138.6
[M+Na]+ 252.938998 151.2
[M-H]- 228.942504 145.0
[M+NH4]+ 247.983603 161.3
[M+K]+ 268.912938 138.1
[M+H-H2O]+ 212.947040 140.1
[M+HCOO]- 274.947981 155.5
[M+CH3COO]- 288.963631 186.7
[M+Na-2H]- 250.924446 145.7
[M]+ 229.94923142 158.0
[M]- 229.95032858 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