CID 68762851

1-bromo-3-(1-fluoroethenyl)benzene

Structural Information

Molecular Formula
C8H6BrF
SMILES
C=C(C1=CC(=CC=C1)Br)F
InChI
InChI=1S/C8H6BrF/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H2
InChIKey
YGYSOJIETWTVQJ-UHFFFAOYSA-N
Compound name
1-bromo-3-(1-fluoroethenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

199.96368 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.97096 133.9
[M+Na]+ 222.95290 137.7
[M+NH4]+ 217.99750 139.2
[M+K]+ 238.92684 136.9
[M-H]- 198.95640 133.9
[M+Na-2H]- 220.93835 138.0
[M]+ 199.96313 133.3
[M]- 199.96423 133.3
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