CID 340006

Nsc369112

Structural Information

Molecular Formula
C14H7ClN2O2
SMILES
C1=CC=C2C(=C1)C(=O)N3C4=C(C=CC(=C4)Cl)N=C3O2
InChI
InChI=1S/C14H7ClN2O2/c15-8-5-6-10-11(7-8)17-13(18)9-3-1-2-4-12(9)19-14(17)16-10/h1-7H
InChIKey
QNLAVPZCAGTQDZ-UHFFFAOYSA-N
Compound name
9-chlorobenzimidazolo[2,1-b][1,3]benzoxazin-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

270.0196 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.02688 154.5
[M+Na]+ 293.00882 170.6
[M-H]- 269.01232 160.6
[M+NH4]+ 288.05342 173.3
[M+K]+ 308.98276 164.8
[M+H-H2O]+ 253.01686 147.2
[M+HCOO]- 315.01780 172.5
[M+CH3COO]- 329.03345 169.1
[M+Na-2H]- 290.99427 164.9
[M]+ 270.01905 163.4
[M]- 270.02015 163.4
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