CID 135399140

4-(chloromethyl)-8-oxa-3,5-diazatricyclo[7.4.0.0,2,7]trideca-1(13),2(7),3,9,11-pentaen-6-one

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

9
Patents

234.0196 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.026876 145.1
[M+Na]+ 257.008818 158.9
[M-H]- 233.012324 148.4
[M+NH4]+ 252.053423 163.7
[M+K]+ 272.982758 153.6
[M+H-H2O]+ 217.016860 138.8
[M+HCOO]- 279.017801 161.7
[M+CH3COO]- 293.033451 159.1
[M+Na-2H]- 254.994266 154.0
[M]+ 234.01905142 150.7
[M]- 234.02014858 150.7
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