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]+ 200.970956 132.7
[M+Na]+ 222.952898 144.7
[M-H]- 198.956404 138.1
[M+NH4]+ 217.997503 155.6
[M+K]+ 238.926838 133.6
[M+H-H2O]+ 182.960940 132.8
[M+HCOO]- 244.961881 153.3
[M+CH3COO]- 258.977531 182.8
[M+Na-2H]- 220.938346 140.0
[M]+ 199.96313142 148.9
[M]- 199.96422858 148.9
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