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

1
Patents

259.96982 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.97710 135.4
[M+Na]+ 282.95904 137.3
[M-H]- 258.96254 131.9
[M+NH4]+ 278.00364 153.9
[M+K]+ 298.93298 140.1
[M+H-H2O]+ 242.96708 127.3
[M+HCOO]- 304.96802 152.7
[M+CH3COO]- 318.98367 182.5
[M+Na-2H]- 280.94449 129.3
[M]+ 259.96927 131.3
[M]- 259.97037 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