CID 754763

5-bromo-8-naphtholactam

Structural Information

Molecular Formula

C₁₁H₆BrNO

SMILES

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3)Br

InChI

InChI=1S/C11H6BrNO/c12-8-4-5-9-10-6(8)2-1-3-7(10)11(14)13-9/h1-5H,(H,13,14)

InChIKey

AWNRAAVXFSTMQS-UHFFFAOYSA-N

Compound name

6-bromo-1H-benzo[cd]indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 246.96329 Da
Monoisotopic Mass: 2.8
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]+	247.97057	147.4
[M+Na]+	269.95251	151.9
[M+NH4]+	264.99711	153.4
[M+K]+	285.92645	152.1
[M-H]-	245.95601	147.8
[M+Na-2H]-	267.93796	149.3
[M]+	246.96274	147.0
[M]-	246.96384	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe