CID 34360

28896-49-3

Structural Information

Molecular Formula
C12H8I2O
SMILES
C1=CC(=CC=C1OC2=CC=C(C=C2)I)I
InChI
InChI=1S/C12H8I2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
InChIKey
VHEGXFQQYZIMMF-UHFFFAOYSA-N
Compound name
1-iodo-4-(4-iodophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

310
Patents

421.86646 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.87374 161.2
[M+Na]+ 444.85568 154.9
[M-H]- 420.85918 154.7
[M+NH4]+ 439.90028 168.9
[M+K]+ 460.82962 163.4
[M+H-H2O]+ 404.86372 148.1
[M+HCOO]- 466.86466 173.4
[M+CH3COO]- 480.88031 207.8
[M+Na-2H]- 442.84113 149.4
[M]+ 421.86591 156.5
[M]- 421.86701 156.5
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