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

27
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

literature stripe

Patent stripe

patents stripe