CID 2736133

5-iodo-2,3-dihydro-1-benzofuran

Structural Information

Molecular Formula
C8H7IO
SMILES
C1COC2=C1C=C(C=C2)I
InChI
InChI=1S/C8H7IO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5H,3-4H2
InChIKey
BSLVNOLUEJOXMR-UHFFFAOYSA-N
Compound name
5-iodo-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

245.95416 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.96144 130.5
[M+Na]+ 268.94338 132.4
[M-H]- 244.94688 128.7
[M+NH4]+ 263.98798 148.8
[M+K]+ 284.91732 137.3
[M+H-H2O]+ 228.95142 122.2
[M+HCOO]- 290.95236 148.7
[M+CH3COO]- 304.96801 141.3
[M+Na-2H]- 266.92883 126.9
[M]+ 245.95361 128.1
[M]- 245.95471 128.1
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