CID 54554453

1-bromo-4-(2-fluoroethyl)benzene

Structural Information

Molecular Formula
C8H8BrF
SMILES
C1=CC(=CC=C1CCF)Br
InChI
InChI=1S/C8H8BrF/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6H2
InChIKey
FVFMHMBKVUPPNM-UHFFFAOYSA-N
Compound name
1-bromo-4-(2-fluoroethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

201.97934 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98662 133.8
[M+Na]+ 224.96856 145.8
[M-H]- 200.97206 139.1
[M+NH4]+ 220.01316 156.8
[M+K]+ 240.94250 134.8
[M+H-H2O]+ 184.97660 133.8
[M+HCOO]- 246.97754 155.2
[M+CH3COO]- 260.99319 182.9
[M+Na-2H]- 222.95401 142.2
[M]+ 201.97879 151.2
[M]- 201.97989 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