CID 57439870

867374-53-6

Structural Information

Molecular Formula

C₁₃H₆BrIO

SMILES

C1=CC2=C(C=C1Br)C(=O)C3=C2C=CC(=C3)I

InChI

InChI=1S/C13H6BrIO/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1-6H

InChIKey

WPPTUDPKJRJKRR-UHFFFAOYSA-N

Compound name

2-bromo-7-iodofluoren-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 383.8647 Da
Monoisotopic Mass: 5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	384.87198	156.3
[M+Na]+	406.85392	164.0
[M-H]-	382.85742	158.2
[M+NH4]+	401.89852	175.5
[M+K]+	422.82786	157.8
[M+H-H2O]+	366.86196	153.6
[M+HCOO]-	428.86290	172.9
[M+CH3COO]-	442.87855	168.1
[M+Na-2H]-	404.83937	152.6
[M]+	383.86415	173.0
[M]-	383.86525	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe