CID 142053

7h-benz(de)anthracene-7-one, 3-iodo-

Structural Information

Molecular Formula
C17H9IO
SMILES
C1=CC=C2C(=C1)C3=C4C(=C(C=C3)I)C=CC=C4C2=O
InChI
InChI=1S/C17H9IO/c18-15-9-8-11-10-4-1-2-5-12(10)17(19)14-7-3-6-13(15)16(11)14/h1-9H
InChIKey
XDYOJKMJYJWYTA-UHFFFAOYSA-N
Compound name
3-iodobenzo[b]phenalen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

355.96982 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.97710 150.4
[M+Na]+ 378.95904 153.5
[M-H]- 354.96254 148.8
[M+NH4]+ 374.00364 166.0
[M+K]+ 394.93298 153.6
[M+H-H2O]+ 338.96708 139.4
[M+HCOO]- 400.96802 165.3
[M+CH3COO]- 414.98367 159.3
[M+Na-2H]- 376.94449 148.8
[M]+ 355.96927 148.9
[M]- 355.97037 148.9
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