CID 20287765

4-iodo-2,3-dihydro-1h-inden-5-ol

Structural Information

Molecular Formula
C9H9IO
SMILES
C1CC2=C(C1)C(=C(C=C2)O)I
InChI
InChI=1S/C9H9IO/c10-9-7-3-1-2-6(7)4-5-8(9)11/h4-5,11H,1-3H2
InChIKey
PSDPMOUUPPTVBN-UHFFFAOYSA-N
Compound name
4-iodo-2,3-dihydro-1H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

259.96982 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.977096 135.4
[M+Na]+ 282.959038 137.3
[M-H]- 258.962544 131.9
[M+NH4]+ 278.003643 153.9
[M+K]+ 298.932978 140.1
[M+H-H2O]+ 242.967080 127.3
[M+HCOO]- 304.968021 152.7
[M+CH3COO]- 318.983671 182.5
[M+Na-2H]- 280.944486 129.3
[M]+ 259.96927142 131.3
[M]- 259.97036858 131.3
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

patents stripe