CID 2064171

1-(2-bromoethoxy)-4-fluorobenzene

Structural Information

Molecular Formula
C8H8BrFO
SMILES
C1=CC(=CC=C1OCCBr)F
InChI
InChI=1S/C8H8BrFO/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2
InChIKey
JXSPKRUNMHMICQ-UHFFFAOYSA-N
Compound name
1-(2-bromoethoxy)-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

773
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

literature stripe

Patent stripe

patents stripe