CID 11241089

828267-47-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

199.96368 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.970956 131.2
[M+Na]+ 222.952898 144.4
[M-H]- 198.956404 136.9
[M+NH4]+ 217.997503 154.5
[M+K]+ 238.926838 132.9
[M+H-H2O]+ 182.960940 131.5
[M+HCOO]- 244.961881 152.8
[M+CH3COO]- 258.977531 183.0
[M+Na-2H]- 220.938346 139.1
[M]+ 199.96313142 148.4
[M]- 199.96422858 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

literature stripe

Patent stripe

patents stripe