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
2
Annotation Hits

2
References

825
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

literature stripe

Patent stripe

patents stripe