CID 135399140

80550-76-1

Structural Information

Molecular Formula
C11H7ClN2O2
SMILES
C1=CC=C2C(=C1)C3=C(O2)C(=O)NC(=N3)CCl
InChI
InChI=1S/C11H7ClN2O2/c12-5-8-13-9-6-3-1-2-4-7(6)16-10(9)11(15)14-8/h1-4H,5H2,(H,13,14,15)
InChIKey
UTFOEOBMLILAKL-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

234.0196 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.02688 144.8
[M+Na]+ 257.00882 161.8
[M+NH4]+ 252.05342 153.8
[M+K]+ 272.98276 155.9
[M-H]- 233.01232 147.9
[M+Na-2H]- 254.99427 151.2
[M]+ 234.01905 148.5
[M]- 234.02015 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe