CID 11575

Iodobenzene

Structural Information

Molecular Formula
C6H5I
SMILES
C1=CC=C(C=C1)I
InChI
InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H
InChIKey
SNHMUERNLJLMHN-UHFFFAOYSA-N
Compound name
iodobenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

333
References

51926
Patents

203.9436 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.95088 122.4
[M+Na]+ 226.93282 129.0
[M+NH4]+ 221.97742 128.5
[M+K]+ 242.90676 125.1
[M-H]- 202.93632 119.6
[M+Na-2H]- 224.91827 119.1
[M]+ 203.94305 121.6
[M]- 203.94415 121.6
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