CID 643345

(e)-1-(2-bromovinyl)-4-fluorobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
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

literature stripe

Patent stripe

patents stripe