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
2
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]+ 189.071016 136.3
[M+Na]+ 211.052958 144.8
[M-H]- 187.056464 142.0
[M+NH4]+ 206.097563 155.8
[M+K]+ 227.026898 141.5
[M+H-H2O]+ 171.061000 128.6
[M+HCOO]- 233.061941 160.6
[M+CH3COO]- 247.077591 181.9
[M+Na-2H]- 209.038406 144.3
[M]+ 188.06319142 135.4
[M]- 188.06428858 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

literature stripe

Patent stripe

patents stripe