CID 67237780

1-bromo-2-ethenyl-3-fluorobenzene

Structural Information

Molecular Formula
C8H6BrF
SMILES
C=CC1=C(C=CC=C1Br)F
InChI
InChI=1S/C8H6BrF/c1-2-6-7(9)4-3-5-8(6)10/h2-5H,1H2
InChIKey
UKLLBAUMMFPJRC-UHFFFAOYSA-N
Compound name
1-bromo-2-ethenyl-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
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

No literature data available for this compound.

Patent stripe

patents stripe