CID 51342045

2-bromo-4-fluorostyrene

Structural Information

Molecular Formula
C8H6BrF
SMILES
C=CC1=C(C=C(C=C1)F)Br
InChI
InChI=1S/C8H6BrF/c1-2-6-3-4-7(10)5-8(6)9/h2-5H,1H2
InChIKey
MNKVLFONYODHBB-UHFFFAOYSA-N
Compound name
2-bromo-1-ethenyl-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

199.96368 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.97096 131.2
[M+Na]+ 222.95290 144.4
[M-H]- 198.95640 136.9
[M+NH4]+ 217.99750 154.5
[M+K]+ 238.92684 132.9
[M+H-H2O]+ 182.96094 131.5
[M+HCOO]- 244.96188 152.8
[M+CH3COO]- 258.97753 183.0
[M+Na-2H]- 220.93835 139.1
[M]+ 199.96313 148.4
[M]- 199.96423 148.4
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