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

113
Patents

217.97426 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.981536 136.8
[M+Na]+ 240.963478 148.8
[M-H]- 216.966984 142.1
[M+NH4]+ 236.008083 159.1
[M+K]+ 256.937418 138.2
[M+H-H2O]+ 200.971520 136.5
[M+HCOO]- 262.972461 158.4
[M+CH3COO]- 276.988111 184.7
[M+Na-2H]- 238.948926 145.2
[M]+ 217.97371142 155.6
[M]- 217.97480858 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