CID 6416107

202823-67-4

Structural Information

Molecular Formula
C10H10Cl2N2
SMILES
C1CC2CCC1C3=C2C(=NN=C3Cl)Cl
InChI
InChI=1S/C10H10Cl2N2/c11-9-7-5-1-2-6(4-3-5)8(7)10(12)14-13-9/h5-6H,1-4H2
InChIKey
GZIFYLGNTOAIJJ-UHFFFAOYSA-N
Compound name
3,6-dichloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

228.02211 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.029386 144.8
[M+Na]+ 251.011328 153.3
[M-H]- 227.014834 141.3
[M+NH4]+ 246.055933 166.3
[M+K]+ 266.985268 148.0
[M+H-H2O]+ 211.019370 139.0
[M+HCOO]- 273.020311 146.9
[M+CH3COO]- 287.035961 155.2
[M+Na-2H]- 248.996776 155.2
[M]+ 228.02156142 148.3
[M]- 228.02265858 148.3
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