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]+ 214.98662 136.0
[M+Na]+ 236.96856 148.8
[M-H]- 212.97206 141.5
[M+NH4]+ 232.01316 158.7
[M+K]+ 252.94250 136.9
[M+H-H2O]+ 196.97660 136.0
[M+HCOO]- 258.97754 157.2
[M+CH3COO]- 272.99319 185.9
[M+Na-2H]- 234.95401 143.3
[M]+ 213.97879 153.5
[M]- 213.97989 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