CID 130505915

1-bromo-3-chloro-2-(prop-2-en-1-yl)benzene

Structural Information

Molecular Formula
C9H8BrCl
SMILES
C=CCC1=C(C=CC=C1Br)Cl
InChI
InChI=1S/C9H8BrCl/c1-2-4-7-8(10)5-3-6-9(7)11/h2-3,5-6H,1,4H2
InChIKey
URFZYHHNTPWMDR-UHFFFAOYSA-N
Compound name
1-bromo-3-chloro-2-prop-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.94978 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.957056 137.5
[M+Na]+ 252.938998 151.3
[M-H]- 228.942504 144.1
[M+NH4]+ 247.983603 160.6
[M+K]+ 268.912938 137.8
[M+H-H2O]+ 212.947040 139.1
[M+HCOO]- 274.947981 155.3
[M+CH3COO]- 288.963631 186.9
[M+Na-2H]- 250.924446 145.1
[M]+ 229.94923142 157.8
[M]- 229.95032858 157.8
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

No patent data available for this compound.