CID 14774759

3,6-dichloro-5-methyl-1,2,4-triazine

Structural Information

Molecular Formula
C4H3Cl2N3
SMILES
CC1=C(N=NC(=N1)Cl)Cl
InChI
InChI=1S/C4H3Cl2N3/c1-2-3(5)8-9-4(6)7-2/h1H3
InChIKey
BHFPRKFRNIWENF-UHFFFAOYSA-N
Compound name
3,6-dichloro-5-methyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

162.9704 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.97768 126.1
[M+Na]+ 185.95962 142.2
[M+NH4]+ 181.00422 134.8
[M+K]+ 201.93356 134.9
[M-H]- 161.96312 127.0
[M+Na-2H]- 183.94507 134.3
[M]+ 162.96985 129.2
[M]- 162.97095 129.2
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