CID 213864

Brn 0958548

Structural Information

Molecular Formula
C11H11ClN2
SMILES
C1CN2C=CC3=CC(=CC(=C32)CN1)Cl
InChI
InChI=1S/C11H11ClN2/c12-10-5-8-1-3-14-4-2-13-7-9(6-10)11(8)14/h1,3,5-6,13H,2,4,7H2
InChIKey
PMNDTEUASUKNJR-UHFFFAOYSA-N
Compound name
6-chloro-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.06108 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06836 136.9
[M+Na]+ 229.05030 149.7
[M+NH4]+ 224.09490 146.2
[M+K]+ 245.02424 145.0
[M-H]- 205.05380 138.5
[M+Na-2H]- 227.03575 142.9
[M]+ 206.06053 139.6
[M]- 206.06163 139.6
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

No patent data available for this compound.