CID 2756964

2-fluorophenethyl bromide

Structural Information

Molecular Formula
C8H8BrF
SMILES
C1=CC=C(C(=C1)CCBr)F
InChI
InChI=1S/C8H8BrF/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2
InChIKey
FQGDFWIQBCQXPS-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

552
Patents

201.97934 Da
Monoisotopic Mass

3.0
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

literature stripe

Patent stripe

patents stripe