CID 591878

2,7-diiodo-9h-fluoren-9-one

Structural Information

Molecular Formula
C13H6I2O
SMILES
C1=CC2=C(C=C1I)C(=O)C3=C2C=CC(=C3)I
InChI
InChI=1S/C13H6I2O/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1-6H
InChIKey
JDLJRWMARKAKIA-UHFFFAOYSA-N
Compound name
2,7-diiodofluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

431.8508 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.85808 147.3
[M+Na]+ 454.84002 143.8
[M-H]- 430.84352 140.7
[M+NH4]+ 449.88462 158.6
[M+K]+ 470.81396 151.2
[M+H-H2O]+ 414.84806 136.1
[M+HCOO]- 476.84900 159.2
[M+CH3COO]- 490.86465 152.6
[M+Na-2H]- 452.82547 136.6
[M]+ 431.85025 144.0
[M]- 431.85135 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe