CID 15312275

187463-12-3

Structural Information

Molecular Formula
C8H6BrF
SMILES
C1=CC=C(C(=C1)/C=C\Br)F
InChI
InChI=1S/C8H6BrF/c9-6-5-7-3-1-2-4-8(7)10/h1-6H/b6-5-
InChIKey
LMOSHNZJMPJGII-WAYWQWQTSA-N
Compound name
1-[(Z)-2-bromoethenyl]-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.96368 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.970956 132.3
[M+Na]+ 222.952898 144.7
[M-H]- 198.956404 137.6
[M+NH4]+ 217.997503 155.3
[M+K]+ 238.926838 133.1
[M+H-H2O]+ 182.960940 132.4
[M+HCOO]- 244.961881 153.9
[M+CH3COO]- 258.977531 181.4
[M+Na-2H]- 220.938346 140.8
[M]+ 199.96313142 149.0
[M]- 199.96422858 149.0
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

No patent data available for this compound.