CID 92125

Iodosobenzene

Structural Information

Molecular Formula
C6H5IO
SMILES
C1=CC=C(C=C1)I=O
InChI
InChI=1S/C6H5IO/c8-7-6-4-2-1-3-5-6/h1-5H
InChIKey
JYJVVHFRSFVEJM-UHFFFAOYSA-N
Compound name
iodosylbenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

51
References

6036
Patents

219.9385 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.94578 126.4
[M+Na]+ 242.92772 127.9
[M-H]- 218.93122 123.2
[M+NH4]+ 237.97232 143.9
[M+K]+ 258.90166 132.3
[M+H-H2O]+ 202.93576 117.6
[M+HCOO]- 264.93670 146.8
[M+CH3COO]- 278.95235 175.8
[M+Na-2H]- 240.91317 123.5
[M]+ 219.93795 123.5
[M]- 219.93905 123.5
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