CID 19993

2-nitrophenylphenyliodonium

Structural Information

Molecular Formula
C12H9INO2
SMILES
C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H9INO2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9H/q+1
InChIKey
NLHPINMBHCCFBV-UHFFFAOYSA-N
Compound name
(4-nitrophenyl)-phenyliodanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

228
Patents

325.9678 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.97508 166.4
[M+Na]+ 348.95702 165.6
[M-H]- 324.96052 165.7
[M+NH4]+ 344.00162 178.0
[M+K]+ 364.93096 159.0
[M+H-H2O]+ 308.96506 161.9
[M+HCOO]- 370.96600 185.8
[M+CH3COO]- 384.98165 184.7
[M+Na-2H]- 346.94247 163.8
[M]+ 325.96725 160.2
[M]- 325.96835 160.2
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