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]+ 230.95706 137.5
[M+Na]+ 252.93900 151.3
[M-H]- 228.94250 144.1
[M+NH4]+ 247.98360 160.6
[M+K]+ 268.91294 137.8
[M+H-H2O]+ 212.94704 139.1
[M+HCOO]- 274.94798 155.3
[M+CH3COO]- 288.96363 186.9
[M+Na-2H]- 250.92445 145.1
[M]+ 229.94923 157.8
[M]- 229.95033 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.