CID 18508309

1-bromo-3-(2-fluoroethyl)benzene

Structural Information

Molecular Formula
C8H8BrF
SMILES
C1=CC(=CC(=C1)Br)CCF
InChI
InChI=1S/C8H8BrF/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5H2
InChIKey
QMBLFFXBDJYYMH-UHFFFAOYSA-N
Compound name
1-bromo-3-(2-fluoroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

201.97934 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.986616 133.8
[M+Na]+ 224.968558 145.8
[M-H]- 200.972064 139.1
[M+NH4]+ 220.013163 156.8
[M+K]+ 240.942498 134.8
[M+H-H2O]+ 184.976600 133.8
[M+HCOO]- 246.977541 155.2
[M+CH3COO]- 260.993191 182.9
[M+Na-2H]- 222.954006 142.2
[M]+ 201.97879142 151.2
[M]- 201.97988858 151.2
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