CID 146050186

2413904-56-8

Structural Information

Molecular Formula

C₉H₆BrClN₂O

SMILES

C1=CN2C(=NC(=CC2=O)CCl)C=C1Br

InChI

InChI=1S/C9H6BrClN2O/c10-6-1-2-13-8(3-6)12-7(5-11)4-9(13)14/h1-4H,5H2

InChIKey

SRHMYFBXAOFAIE-UHFFFAOYSA-N

Compound name

8-bromo-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 271.9352 Da
Monoisotopic Mass: 0.9
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]+	272.94248	142.4
[M+Na]+	294.92442	158.0
[M-H]-	270.92792	147.6
[M+NH4]+	289.96902	162.4
[M+K]+	310.89836	144.8
[M+H-H2O]+	254.93246	142.5
[M+HCOO]-	316.93340	157.9
[M+CH3COO]-	330.94905	157.9
[M+Na-2H]-	292.90987	152.5
[M]+	271.93465	164.5
[M]-	271.93575	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe