CID 3052617

69099-75-8

Structural Information

Molecular Formula

C₁₁H₉BrN₂O

SMILES

C1C2CC(=O)NN=C2C3=C1C=C(C=C3)Br

InChI

InChI=1S/C11H9BrN2O/c12-8-1-2-9-6(4-8)3-7-5-10(15)13-14-11(7)9/h1-2,4,7H,3,5H2,(H,13,15)

InChIKey

MKQPFZZZTNSYGI-UHFFFAOYSA-N

Compound name

7-bromo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 263.98984 Da
Monoisotopic Mass: 1.7
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]+	264.997116	151.7
[M+Na]+	286.979058	164.4
[M-H]-	262.982564	156.1
[M+NH4]+	282.023663	172.8
[M+K]+	302.952998	152.0
[M+H-H2O]+	246.987100	151.6
[M+HCOO]-	308.988041	167.4
[M+CH3COO]-	323.003691	165.5
[M+Na-2H]-	284.964506	158.3
[M]+	263.98929142	167.7
[M]-	263.99038858	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.