CID 206811

Brn 0747083

Structural Information

Molecular Formula
C11H11ClN2O
SMILES
C1CN2CCNC(=O)C3=CC(=CC1=C32)Cl
InChI
InChI=1S/C11H11ClN2O/c12-8-5-7-1-3-14-4-2-13-11(15)9(6-8)10(7)14/h5-6H,1-4H2,(H,13,15)
InChIKey
MVFJHPORKHCFOS-UHFFFAOYSA-N
Compound name
6-chloro-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

222.05598 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06326 146.5
[M+Na]+ 245.04520 155.8
[M-H]- 221.04870 148.4
[M+NH4]+ 240.08980 165.8
[M+K]+ 261.01914 153.2
[M+H-H2O]+ 205.05324 140.0
[M+HCOO]- 267.05418 158.3
[M+CH3COO]- 281.06983 158.1
[M+Na-2H]- 243.03065 151.0
[M]+ 222.05543 143.0
[M]- 222.05653 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

No literature data available for this compound.

Patent stripe

patents stripe