CID 520399

4-iododiphenyl ether

Structural Information

Molecular Formula
C12H9IO
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)I
InChI
InChI=1S/C12H9IO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
InChIKey
BDKOUDYNKRCDEC-UHFFFAOYSA-N
Compound name
1-iodo-4-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

261
Patents

295.96982 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.97710 147.8
[M+Na]+ 318.95904 148.7
[M-H]- 294.96254 147.0
[M+NH4]+ 314.00364 162.1
[M+K]+ 334.93298 151.4
[M+H-H2O]+ 278.96708 137.1
[M+HCOO]- 340.96802 167.4
[M+CH3COO]- 354.98367 190.5
[M+Na-2H]- 316.94449 143.6
[M]+ 295.96927 145.2
[M]- 295.97037 145.2
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