CID 15312275

1-[(1z)-2-bromoethenyl]-2-fluorobenzene

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]+ 200.97096 132.3
[M+Na]+ 222.95290 144.7
[M-H]- 198.95640 137.6
[M+NH4]+ 217.99750 155.3
[M+K]+ 238.92684 133.1
[M+H-H2O]+ 182.96094 132.4
[M+HCOO]- 244.96188 153.9
[M+CH3COO]- 258.97753 181.4
[M+Na-2H]- 220.93835 140.8
[M]+ 199.96313 149.0
[M]- 199.96423 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.