CID 609295

6-chloro-8-oxa-3,5-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene

Structural Information

Molecular Formula
C10H5ClN2O
SMILES
C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)Cl
InChI
InChI=1S/C10H5ClN2O/c11-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9/h1-5H
InChIKey
ABRHSRPOYMSBOI-UHFFFAOYSA-N
Compound name
4-chloro-[1]benzofuro[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

142
Patents

204.00903 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.016306 137.2
[M+Na]+ 226.998248 150.9
[M-H]- 203.001754 141.5
[M+NH4]+ 222.042853 157.5
[M+K]+ 242.972188 146.6
[M+H-H2O]+ 187.006290 130.6
[M+HCOO]- 249.007231 155.3
[M+CH3COO]- 263.022881 152.1
[M+Na-2H]- 224.983696 147.8
[M]+ 204.00848142 143.0
[M]- 204.00957858 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe