CID 11805745

[(z)-2-bromo-2-fluoroethenyl]benzene

Structural Information

Molecular Formula
C8H6BrF
SMILES
C1=CC=C(C=C1)/C=C(/F)\Br
InChI
InChI=1S/C8H6BrF/c9-8(10)6-7-4-2-1-3-5-7/h1-6H/b8-6+
InChIKey
SWQFIDOJLLCOEV-SOFGYWHQSA-N
Compound name
[(Z)-2-bromo-2-fluoroethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

199.96368 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.97096 133.8
[M+Na]+ 222.95290 145.0
[M-H]- 198.95640 138.8
[M+NH4]+ 217.99750 156.5
[M+K]+ 238.92684 133.9
[M+H-H2O]+ 182.96094 133.7
[M+HCOO]- 244.96188 154.4
[M+CH3COO]- 258.97753 181.1
[M+Na-2H]- 220.93835 141.6
[M]+ 199.96313 149.5
[M]- 199.96423 149.5
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