CID 19524

Azoaldrin

Structural Information

Molecular Formula
C10H6Cl6N2
SMILES
C1C2C3C(C1N=N2)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H6Cl6N2/c11-6-7(12)9(14)5-3-1-2(17-18-3)4(5)8(6,13)10(9,15)16/h2-5H,1H2
InChIKey
FYISZJZMDZHFEQ-UHFFFAOYSA-N
Compound name
1,8,9,10,11,11-hexachloro-4,5-diazatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.8662 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.87348 189.9
[M+Na]+ 386.85542 201.5
[M-H]- 362.85892 184.9
[M+NH4]+ 381.90002 212.1
[M+K]+ 402.82936 195.1
[M+H-H2O]+ 346.86346 185.2
[M+HCOO]- 408.86440 178.0
[M+CH3COO]- 422.88005 195.6
[M+Na-2H]- 384.84087 184.1
[M]+ 363.86565 187.3
[M]- 363.86675 187.3
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