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]+ 288.97200 140.4
[M+Na]+ 310.95394 143.3
[M-H]- 286.95744 138.5
[M+NH4]+ 305.99854 158.7
[M+K]+ 326.92788 146.7
[M+H-H2O]+ 270.96198 132.0
[M+HCOO]- 332.96292 159.2
[M+CH3COO]- 346.97857 190.0
[M+Na-2H]- 308.93939 133.8
[M]+ 287.96417 139.6
[M]- 287.96527 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.