CID 3856046

5-iodo-2-methylbenzofuran

Structural Information

Molecular Formula
C9H7IO
SMILES
CC1=CC2=C(O1)C=CC(=C2)I
InChI
InChI=1S/C9H7IO/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5H,1H3
InChIKey
RUKAGZXVAJDQAD-UHFFFAOYSA-N
Compound name
5-iodo-2-methyl-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

257.95416 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.96144 135.0
[M+Na]+ 280.94338 142.3
[M+NH4]+ 275.98798 140.9
[M+K]+ 296.91732 140.3
[M-H]- 256.94688 133.2
[M+Na-2H]- 278.92883 129.9
[M]+ 257.95361 134.7
[M]- 257.95471 134.7
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