CID 69446193

1-allyl-3-bromo-5-fluorobenzene

Structural Information

Molecular Formula
C9H8BrF
SMILES
C=CCC1=CC(=CC(=C1)Br)F
InChI
InChI=1S/C9H8BrF/c1-2-3-7-4-8(10)6-9(11)5-7/h2,4-6H,1,3H2
InChIKey
RICOTNMALOCCKV-UHFFFAOYSA-N
Compound name
1-bromo-3-fluoro-5-prop-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 136.0
[M+Na]+ 236.968558 148.8
[M-H]- 212.972064 141.5
[M+NH4]+ 232.013163 158.7
[M+K]+ 252.942498 136.9
[M+H-H2O]+ 196.976600 136.0
[M+HCOO]- 258.977541 157.2
[M+CH3COO]- 272.993191 185.9
[M+Na-2H]- 234.954006 143.3
[M]+ 213.97879142 153.5
[M]- 213.97988858 153.5
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