CID 92042983

860757-84-2

Structural Information

Molecular Formula

C₁₀H₆BrNO

SMILES

C1=CC2=NC=C(C=C2C=C1C=O)Br

InChI

InChI=1S/C10H6BrNO/c11-9-4-8-3-7(6-13)1-2-10(8)12-5-9/h1-6H

InChIKey

APMWGLGWAYESOM-UHFFFAOYSA-N

Compound name

3-bromoquinoline-6-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 234.96329 Da
Monoisotopic Mass: 2.7
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]+	235.97057	139.0
[M+Na]+	257.95251	152.4
[M-H]-	233.95601	145.4
[M+NH4]+	252.99711	160.5
[M+K]+	273.92645	141.0
[M+H-H2O]+	217.96055	139.0
[M+HCOO]-	279.96149	159.9
[M+CH3COO]-	293.97714	188.0
[M+Na-2H]-	255.93796	149.4
[M]+	234.96274	158.7
[M]-	234.96384	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe