CID 14371734

122433-49-2

Structural Information

Molecular Formula

C₈H₆ClNO₂

SMILES

C1COC2=C(C1=O)C=C(C=N2)Cl

InChI

InChI=1S/C8H6ClNO2/c9-5-3-6-7(11)1-2-12-8(6)10-4-5/h3-4H,1-2H2

InChIKey

QAWIBDZRUBWAJN-UHFFFAOYSA-N

Compound name

6-chloro-2,3-dihydropyrano[2,3-b]pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 183.00871 Da
Monoisotopic Mass: 1.3
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]+	184.01599	131.8
[M+Na]+	205.99793	142.1
[M-H]-	182.00143	135.8
[M+NH4]+	201.04253	151.2
[M+K]+	221.97187	139.6
[M+H-H2O]+	166.00597	126.2
[M+HCOO]-	228.00691	147.6
[M+CH3COO]-	242.02256	145.8
[M+Na-2H]-	203.98338	140.8
[M]+	183.00816	133.4
[M]-	183.00926	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe