CID 2386106

1-(2-bromoethoxy)-2-fluorobenzene

Structural Information

Molecular Formula
C8H8BrFO
SMILES
C1=CC=C(C(=C1)OCCBr)F
InChI
InChI=1S/C8H8BrFO/c9-5-6-11-8-4-2-1-3-7(8)10/h1-4H,5-6H2
InChIKey
NSMQOWMNTQCZPM-UHFFFAOYSA-N
Compound name
1-(2-bromoethoxy)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

77
Patents

217.97426 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.98154 139.6
[M+Na]+ 240.96348 143.2
[M+NH4]+ 236.00808 144.7
[M+K]+ 256.93742 142.1
[M-H]- 216.96698 139.5
[M+Na-2H]- 238.94893 143.5
[M]+ 217.97371 138.9
[M]- 217.97481 138.9
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