CID 44829109

511533-38-3

Structural Information

Molecular Formula
C9H7IO
SMILES
C1CC(=O)C2=C1C=C(C=C2)I
InChI
InChI=1S/C9H7IO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
InChIKey
XVDWDHAAIWZKRU-UHFFFAOYSA-N
Compound name
5-iodo-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

257.95416 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.96144 136.8
[M+Na]+ 280.94338 142.1
[M+NH4]+ 275.98798 142.5
[M+K]+ 296.91732 140.1
[M-H]- 256.94688 133.2
[M+Na-2H]- 278.92883 130.4
[M]+ 257.95361 135.5
[M]- 257.95471 135.5
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