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

22
Patents

213.97934 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.98662 136.4
[M+Na]+ 236.96856 148.9
[M-H]- 212.97206 142.0
[M+NH4]+ 232.01316 159.1
[M+K]+ 252.94250 137.5
[M+H-H2O]+ 196.97660 136.5
[M+HCOO]- 258.97754 156.7
[M+CH3COO]- 272.99319 186.6
[M+Na-2H]- 234.95401 142.5
[M]+ 213.97879 153.3
[M]- 213.97989 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