CID 58507838

160199-95-1

Structural Information

Molecular Formula

C₁₀H₄Cl₂N₂O

SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=NC(=N3)Cl)Cl

InChI

InChI=1S/C10H4Cl2N2O/c11-9-8-7(13-10(12)14-9)5-3-1-2-4-6(5)15-8/h1-4H

InChIKey

PHHATHMJJOZFEK-UHFFFAOYSA-N

Compound name

2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 179
Patents: 237.97006 Da
Monoisotopic Mass: 4.0
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]+	238.97734	144.4
[M+Na]+	260.95928	159.1
[M-H]-	236.96278	148.1
[M+NH4]+	256.00388	163.9
[M+K]+	276.93322	153.8
[M+H-H2O]+	220.96732	138.2
[M+HCOO]-	282.96826	157.1
[M+CH3COO]-	296.98391	158.6
[M+Na-2H]-	258.94473	153.2
[M]+	237.96951	151.5
[M]-	237.97061	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe