CID 170525

41503-32-6

Structural Information

Molecular Formula

C₁₃H₁₀BrNO

SMILES

CCN1C2=C3C(=C(C=C2)Br)C=CC=C3C1=O

InChI

InChI=1S/C13H10BrNO/c1-2-15-11-7-6-10(14)8-4-3-5-9(12(8)11)13(15)16/h3-7H,2H2,1H3

InChIKey

KHABYXGVKDDLGT-UHFFFAOYSA-N

Compound name

6-bromo-1-ethylbenzo[cd]indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 274.99457 Da
Monoisotopic Mass: 3.3
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]+	276.00185	155.6
[M+Na]+	297.98379	169.6
[M-H]-	273.98729	162.4
[M+NH4]+	293.02839	178.9
[M+K]+	313.95773	157.7
[M+H-H2O]+	257.99183	155.8
[M+HCOO]-	319.99277	174.6
[M+CH3COO]-	334.00842	170.8
[M+Na-2H]-	295.96924	162.3
[M]+	274.99402	176.7
[M]-	274.99512	176.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe