CID 35498

30805-06-2

Structural Information

Molecular Formula
C3Cl2N6
SMILES
C1(=NC(=NC(=N1)Cl)Cl)N=[N+]=[N-]
InChI
InChI=1S/C3Cl2N6/c4-1-7-2(5)9-3(8-1)10-11-6
InChIKey
FZBOGGDPZXBNGV-UHFFFAOYSA-N
Compound name
2-azido-4,6-dichloro-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

189.95615 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.96343 134.0
[M+Na]+ 212.94537 144.3
[M-H]- 188.94887 135.4
[M+NH4]+ 207.98997 150.7
[M+K]+ 228.91931 136.6
[M+H-H2O]+ 172.95341 131.0
[M+HCOO]- 234.95435 152.8
[M+CH3COO]- 248.97000 182.4
[M+Na-2H]- 210.93082 145.9
[M]+ 189.95560 134.1
[M]- 189.95670 134.1
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