CID 3054998

1h-indene-1,3(2h)-dione, 2-hydroxy-2-(2-hydroxy-5-iodophenyl)-

Structural Information

Molecular Formula
C15H9IO4
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)(C3=C(C=CC(=C3)I)O)O
InChI
InChI=1S/C15H9IO4/c16-8-5-6-12(17)11(7-8)15(20)13(18)9-3-1-2-4-10(9)14(15)19/h1-7,17,20H
InChIKey
BORHGWIKYPGOOA-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(2-hydroxy-5-iodophenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.95456 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.96184 164.7
[M+Na]+ 402.94378 168.5
[M-H]- 378.94728 163.8
[M+NH4]+ 397.98838 179.8
[M+K]+ 418.91772 169.5
[M+H-H2O]+ 362.95182 155.7
[M+HCOO]- 424.95276 180.6
[M+CH3COO]- 438.96841 200.8
[M+Na-2H]- 400.92923 156.8
[M]+ 379.95401 162.6
[M]- 379.95511 162.6
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.