CID 72214394

1379179-87-9

Structural Information

Molecular Formula

C₆H₅ClN₂O

SMILES

C1C2=C(CO1)N=CN=C2Cl

InChI

InChI=1S/C6H5ClN2O/c7-6-4-1-10-2-5(4)8-3-9-6/h3H,1-2H2

InChIKey

NOMDLAMXZUTNNL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
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]+	157.01631	126.3
[M+Na]+	178.99825	137.1
[M-H]-	155.00175	128.7
[M+NH4]+	174.04285	147.0
[M+K]+	194.97219	135.0
[M+H-H2O]+	139.00629	120.1
[M+HCOO]-	201.00723	142.9
[M+CH3COO]-	215.02288	140.7
[M+Na-2H]-	176.98370	134.9
[M]+	156.00848	128.4
[M]-	156.00958	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe