CID 12262403

3,5,6-trichloro-1,2,4-triazine

Structural Information

Molecular Formula
C3Cl3N3
SMILES
C1(=C(N=NC(=N1)Cl)Cl)Cl
InChI
InChI=1S/C3Cl3N3/c4-1-2(5)8-9-3(6)7-1
InChIKey
YHKUFWFVZIIVDL-UHFFFAOYSA-N
Compound name
3,5,6-trichloro-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

259
Patents

182.91579 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.923066 125.3
[M+Na]+ 205.905008 137.4
[M-H]- 181.908514 123.3
[M+NH4]+ 200.949613 142.5
[M+K]+ 221.878948 132.9
[M+H-H2O]+ 165.913050 119.3
[M+HCOO]- 227.913991 132.0
[M+CH3COO]- 241.929641 138.0
[M+Na-2H]- 203.890456 132.7
[M]+ 182.91524142 127.2
[M]- 182.91633858 127.2
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