CID 97182214

4-iodo-7-methoxyindan-1-one

Structural Information

Molecular Formula
C10H9IO2
SMILES
COC1=C2C(=C(C=C1)I)CCC2=O
InChI
InChI=1S/C10H9IO2/c1-13-9-5-3-7(11)6-2-4-8(12)10(6)9/h3,5H,2,4H2,1H3
InChIKey
OCJBUXFIDXIPLZ-UHFFFAOYSA-N
Compound name
4-iodo-7-methoxy-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.96472 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.971996 140.4
[M+Na]+ 310.953938 143.3
[M-H]- 286.957444 138.5
[M+NH4]+ 305.998543 158.7
[M+K]+ 326.927878 146.7
[M+H-H2O]+ 270.961980 132.0
[M+HCOO]- 332.962921 159.2
[M+CH3COO]- 346.978571 190.0
[M+Na-2H]- 308.939386 133.8
[M]+ 287.96417142 139.6
[M]- 287.96526858 139.6
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

No patent data available for this compound.