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]+ 214.98662 137.5
[M+Na]+ 236.96856 149.1
[M-H]- 212.97206 142.7
[M+NH4]+ 232.01316 159.8
[M+K]+ 252.94250 137.6
[M+H-H2O]+ 196.97660 137.3
[M+HCOO]- 258.97754 157.7
[M+CH3COO]- 272.99319 185.6
[M+Na-2H]- 234.95401 144.1
[M]+ 213.97879 154.0
[M]- 213.97989 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.