CID 206817

Brn 0958540

Structural Information

Molecular Formula
C11H13ClN2
SMILES
C1CNC2=CC(=CC3=C2N(C1)CC3)Cl
InChI
InChI=1S/C11H13ClN2/c12-9-6-8-2-5-14-4-1-3-13-10(7-9)11(8)14/h6-7,13H,1-5H2
InChIKey
QJFRLJXEDIXDPR-UHFFFAOYSA-N
Compound name
6-chloro-1,9-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07672 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08400 139.1
[M+Na]+ 231.06594 150.2
[M+NH4]+ 226.11054 148.3
[M+K]+ 247.03988 145.9
[M-H]- 207.06944 140.4
[M+Na-2H]- 229.05139 143.4
[M]+ 208.07617 141.3
[M]- 208.07727 141.3
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.