CID 11254406

6710-92-5

Structural Information

Molecular Formula
C6Cl3N7
SMILES
C12=NC(=NC3=NC(=NC(=NC(=N1)Cl)N23)Cl)Cl
InChI
InChI=1S/C6Cl3N7/c7-1-10-4-12-2(8)14-6-15-3(9)13-5(11-1)16(4)6
InChIKey
XQCSSANETDMLMF-UHFFFAOYSA-N
Compound name
3,7,11-trichloro-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

274.92807 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.93535 150.1
[M+Na]+ 297.91729 163.9
[M-H]- 273.92079 143.7
[M+NH4]+ 292.96189 160.3
[M+K]+ 313.89123 157.8
[M+H-H2O]+ 257.92533 139.3
[M+HCOO]- 319.92627 148.5
[M+CH3COO]- 333.94192 159.3
[M+Na-2H]- 295.90274 159.2
[M]+ 274.92752 153.4
[M]- 274.92862 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe