CID 224110

2-amino-3-bromo-9-fluorenone

Structural Information

Molecular Formula

C₁₃H₈BrNO

SMILES

C1=CC=C2C(=C1)C3=CC(=C(C=C3C2=O)N)Br

InChI

InChI=1S/C13H8BrNO/c14-11-5-9-7-3-1-2-4-8(7)13(16)10(9)6-12(11)15/h1-6H,15H2

InChIKey

UCQGTFXGGBTOFE-UHFFFAOYSA-N

Compound name

2-amino-3-bromofluoren-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 272.97894 Da
Monoisotopic Mass: 3.6
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]+	273.986216	154.4
[M+Na]+	295.968158	168.4
[M-H]-	271.971664	162.9
[M+NH4]+	291.012763	178.1
[M+K]+	311.942098	155.7
[M+H-H2O]+	255.976200	154.7
[M+HCOO]-	317.977141	176.2
[M+CH3COO]-	331.992791	169.9
[M+Na-2H]-	293.953606	161.1
[M]+	272.97839142	173.0
[M]-	272.97948858	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe