CID 13831794

69626-75-1

Structural Information

Molecular Formula
C8H5IO
SMILES
C1=CC=C2C(=C1)C=C(O2)I
InChI
InChI=1S/C8H5IO/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H
InChIKey
WIBOBANRAWSQLV-UHFFFAOYSA-N
Compound name
2-iodo-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

243.9385 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.945776 128.8
[M+Na]+ 266.927718 132.7
[M-H]- 242.931224 127.6
[M+NH4]+ 261.972323 147.4
[M+K]+ 282.901658 137.2
[M+H-H2O]+ 226.935760 120.5
[M+HCOO]- 288.936701 149.7
[M+CH3COO]- 302.952351 140.6
[M+Na-2H]- 264.913166 127.0
[M]+ 243.93795142 129.1
[M]- 243.93904858 129.1
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