CID 83839572

Schembl22440094

Structural Information

Molecular Formula

C₈H₅BrN₂O

SMILES

C1=CC(=CN2C1=CN=C2C=O)Br

InChI

InChI=1S/C8H5BrN2O/c9-6-1-2-7-3-10-8(5-12)11(7)4-6/h1-5H

InChIKey

ILYIPEBDDABAET-UHFFFAOYSA-N

Compound name

6-bromoimidazo[1,5-a]pyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 223.95853 Da
Monoisotopic Mass: 2.3
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]+	224.96581	135.5
[M+Na]+	246.94775	150.9
[M-H]-	222.95125	141.3
[M+NH4]+	241.99235	158.2
[M+K]+	262.92169	139.8
[M+H-H2O]+	206.95579	135.5
[M+HCOO]-	268.95673	158.0
[M+CH3COO]-	282.97238	152.2
[M+Na-2H]-	244.93320	145.3
[M]+	223.95798	157.1
[M]-	223.95908	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe