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

13
Patents

207.05632 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.063596 142.1
[M+Na]+ 230.045538 153.1
[M-H]- 206.049044 142.0
[M+NH4]+ 225.090143 161.2
[M+K]+ 246.019478 146.7
[M+H-H2O]+ 190.053580 134.5
[M+HCOO]- 252.054521 155.1
[M+CH3COO]- 266.070171 154.2
[M+Na-2H]- 228.030986 149.4
[M]+ 207.05577142 141.5
[M]- 207.05686858 141.5
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