CID 90359170

1-bromo-4-fluoro-2-(prop-1-en-2-yl)benzene

Structural Information

Molecular Formula
C9H8BrF
SMILES
CC(=C)C1=C(C=CC(=C1)F)Br
InChI
InChI=1S/C9H8BrF/c1-6(2)8-5-7(11)3-4-9(8)10/h3-5H,1H2,2H3
InChIKey
RSZWNDWOUUDKOZ-UHFFFAOYSA-N
Compound name
1-bromo-4-fluoro-2-prop-1-en-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

213.97934 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.986616 136.4
[M+Na]+ 236.968558 148.9
[M-H]- 212.972064 142.0
[M+NH4]+ 232.013163 159.1
[M+K]+ 252.942498 137.5
[M+H-H2O]+ 196.976600 136.5
[M+HCOO]- 258.977541 156.7
[M+CH3COO]- 272.993191 186.6
[M+Na-2H]- 234.954006 142.5
[M]+ 213.97879142 153.3
[M]- 213.97988858 153.3
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