CID 67614

1-fluoro-4-phenoxybenzene

Structural Information

Molecular Formula
C12H9FO
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)F
InChI
InChI=1S/C12H9FO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
InChIKey
AODSTUBSNYVSSL-UHFFFAOYSA-N
Compound name
1-fluoro-4-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

734
Patents

188.06374 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07102 136.3
[M+Na]+ 211.05296 144.8
[M-H]- 187.05646 142.0
[M+NH4]+ 206.09756 155.8
[M+K]+ 227.02690 141.5
[M+H-H2O]+ 171.06100 128.6
[M+HCOO]- 233.06194 160.6
[M+CH3COO]- 247.07759 181.9
[M+Na-2H]- 209.03841 144.3
[M]+ 188.06319 135.4
[M]- 188.06429 135.4
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

No patent data available for this compound.