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

5743
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.