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

2
Patents

208.07672 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.083996 143.9
[M+Na]+ 231.065938 152.3
[M-H]- 207.069444 145.4
[M+NH4]+ 226.110543 163.5
[M+K]+ 247.039878 149.3
[M+H-H2O]+ 191.073980 137.2
[M+HCOO]- 253.074921 155.4
[M+CH3COO]- 267.090571 155.3
[M+Na-2H]- 229.051386 149.1
[M]+ 208.07617142 139.3
[M]- 208.07726858 139.3
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

patents stripe