CID 59634443

944902-88-9

Structural Information

Molecular Formula

C₇H₆Cl₂N₂O

SMILES

C1COCC2=C1N=C(N=C2Cl)Cl

InChI

InChI=1S/C7H6Cl2N2O/c8-6-4-3-12-2-1-5(4)10-7(9)11-6/h1-3H2

InChIKey

CRTMMAOQBFOYJK-UHFFFAOYSA-N

Compound name

2,4-dichloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 203.98572 Da
Monoisotopic Mass: 1.8
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]+	204.99300	136.2
[M+Na]+	226.97494	152.2
[M+NH4]+	222.01954	145.9
[M+K]+	242.94888	144.6
[M-H]-	202.97844	139.5
[M+Na-2H]-	224.96039	143.0
[M]+	203.98517	140.1
[M]-	203.98627	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe