CID 67615

330-93-8

Structural Information

Molecular Formula
C12H8F2O
SMILES
C1=CC(=CC=C1OC2=CC=C(C=C2)F)F
InChI
InChI=1S/C12H8F2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
InChIKey
UUKHFGSOCZLVJO-UHFFFAOYSA-N
Compound name
1-fluoro-4-(4-fluorophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

355
Patents

206.05432 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06160 139.0
[M+Na]+ 229.04354 148.5
[M-H]- 205.04704 143.7
[M+NH4]+ 224.08814 158.0
[M+K]+ 245.01748 144.7
[M+H-H2O]+ 189.05158 130.4
[M+HCOO]- 251.05252 162.2
[M+CH3COO]- 265.06817 185.8
[M+Na-2H]- 227.02899 145.6
[M]+ 206.05377 137.4
[M]- 206.05487 137.4
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