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

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 145.1
[M+Na]+ 257.00882 158.9
[M-H]- 233.01232 148.4
[M+NH4]+ 252.05342 163.7
[M+K]+ 272.98276 153.6
[M+H-H2O]+ 217.01686 138.8
[M+HCOO]- 279.01780 161.7
[M+CH3COO]- 293.03345 159.1
[M+Na-2H]- 254.99427 154.0
[M]+ 234.01905 150.7
[M]- 234.02015 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