CID 21868746

287384-86-5

Structural Information

Molecular Formula
C10H10ClN3
SMILES
C1CN2C(=CC3=C2N=C(C=C3)Cl)CN1
InChI
InChI=1S/C10H10ClN3/c11-9-2-1-7-5-8-6-12-3-4-14(8)10(7)13-9/h1-2,5,12H,3-4,6H2
InChIKey
QSTMGYBZUONADR-UHFFFAOYSA-N
Compound name
4-chloro-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

207.05632 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06360 141.1
[M+Na]+ 230.04554 156.3
[M+NH4]+ 225.09014 150.8
[M+K]+ 246.01948 149.9
[M-H]- 206.04904 142.8
[M+Na-2H]- 228.03099 147.3
[M]+ 207.05577 144.0
[M]- 207.05687 144.0
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