CID 21964618

1-(2-bromoethoxy)-3-fluorobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

217.97426 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.98154 136.8
[M+Na]+ 240.96348 148.8
[M-H]- 216.96698 142.1
[M+NH4]+ 236.00808 159.1
[M+K]+ 256.93742 138.2
[M+H-H2O]+ 200.97152 136.5
[M+HCOO]- 262.97246 158.4
[M+CH3COO]- 276.98811 184.7
[M+Na-2H]- 238.94893 145.2
[M]+ 217.97371 155.6
[M]- 217.97481 155.6
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