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 132.7
[M+Na]+ 222.95290 144.7
[M-H]- 198.95640 138.1
[M+NH4]+ 217.99750 155.6
[M+K]+ 238.92684 133.6
[M+H-H2O]+ 182.96094 132.8
[M+HCOO]- 244.96188 153.3
[M+CH3COO]- 258.97753 182.8
[M+Na-2H]- 220.93835 140.0
[M]+ 199.96313 148.9
[M]- 199.96423 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