CID 17909064

99584-48-2

Structural Information

Molecular Formula
C3HCl2N3
SMILES
C1=C(N=NC(=N1)Cl)Cl
InChI
InChI=1S/C3HCl2N3/c4-2-1-6-3(5)8-7-2/h1H
InChIKey
DHFJTUKAWMNXNY-UHFFFAOYSA-N
Compound name
3,6-dichloro-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

148.95476 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.962036 119.8
[M+Na]+ 171.943978 131.5
[M-H]- 147.947484 118.8
[M+NH4]+ 166.988583 138.2
[M+K]+ 187.917918 127.6
[M+H-H2O]+ 131.952020 113.3
[M+HCOO]- 193.952961 132.2
[M+CH3COO]- 207.968611 133.5
[M+Na-2H]- 169.929426 129.3
[M]+ 148.95421142 121.6
[M]- 148.95530858 121.6
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