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]+ 163.977676 124.4
[M+Na]+ 185.959618 136.6
[M-H]- 161.963124 123.6
[M+NH4]+ 181.004223 142.7
[M+K]+ 201.933558 132.5
[M+H-H2O]+ 145.967660 118.1
[M+HCOO]- 207.968601 136.5
[M+CH3COO]- 221.984251 175.6
[M+Na-2H]- 183.945066 132.6
[M]+ 162.96985142 127.0
[M]- 162.97094858 127.0
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