CID 72218283

1233932-44-9

Structural Information

Molecular Formula

C₆H₅ClN₂O

SMILES

C1C2=CN=C(N=C2CO1)Cl

InChI

InChI=1S/C6H5ClN2O/c7-6-8-1-4-2-10-3-5(4)9-6/h1H,2-3H2

InChIKey

PEIRGRYXPYEGEX-UHFFFAOYSA-N

Compound name

2-chloro-5,7-dihydrofuro[3,4-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 156.00903 Da
Monoisotopic Mass: 0.4
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]+	157.016306	126.3
[M+Na]+	178.998248	137.1
[M-H]-	155.001754	128.7
[M+NH4]+	174.042853	147.0
[M+K]+	194.972188	135.0
[M+H-H2O]+	139.006290	120.1
[M+HCOO]-	201.007231	142.9
[M+CH3COO]-	215.022881	140.7
[M+Na-2H]-	176.983696	134.9
[M]+	156.00848142	128.4
[M]-	156.00957858	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe