CID 138039782

1-bromo-3-(3-fluoroprop-1-en-2-yl)benzene

Structural Information

Molecular Formula
C9H8BrF
SMILES
C=C(CF)C1=CC(=CC=C1)Br
InChI
InChI=1S/C9H8BrF/c1-7(6-11)8-3-2-4-9(10)5-8/h2-5H,1,6H2
InChIKey
VIOQJBNGYWSWDR-UHFFFAOYSA-N
Compound name
1-bromo-3-(3-fluoroprop-1-en-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.97934 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.986616 137.5
[M+Na]+ 236.968558 149.1
[M-H]- 212.972064 142.7
[M+NH4]+ 232.013163 159.8
[M+K]+ 252.942498 137.6
[M+H-H2O]+ 196.976600 137.3
[M+HCOO]- 258.977541 157.7
[M+CH3COO]- 272.993191 185.6
[M+Na-2H]- 234.954006 144.1
[M]+ 213.97879142 154.0
[M]- 213.97988858 154.0
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

No patent data available for this compound.