CID 16114863

892873-55-1

Structural Information

Molecular Formula

C₁₃H₁₀BrNO₂

SMILES

C1=CC=NC(=C1)COC2=C(C=C(C=C2)Br)C=O

InChI

InChI=1S/C13H10BrNO2/c14-11-4-5-13(10(7-11)8-16)17-9-12-3-1-2-6-15-12/h1-8H,9H2

InChIKey

GGCJZOKCZZGBSB-UHFFFAOYSA-N

Compound name

5-bromo-2-(pyridin-2-ylmethoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 290.9895 Da
Monoisotopic Mass: 2.5
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]+	291.99678	153.9
[M+Na]+	313.97872	165.7
[M-H]-	289.98222	162.0
[M+NH4]+	309.02332	171.9
[M+K]+	329.95266	154.2
[M+H-H2O]+	273.98676	152.5
[M+HCOO]-	335.98770	175.4
[M+CH3COO]-	350.00335	196.7
[M+Na-2H]-	311.96417	162.1
[M]+	290.98895	174.6
[M]-	290.99005	174.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe