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

41
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 124.4
[M+Na]+ 185.95962 136.6
[M-H]- 161.96312 123.6
[M+NH4]+ 181.00422 142.7
[M+K]+ 201.93356 132.5
[M+H-H2O]+ 145.96766 118.1
[M+HCOO]- 207.96860 136.5
[M+CH3COO]- 221.98425 175.6
[M+Na-2H]- 183.94507 132.6
[M]+ 162.96985 127.0
[M]- 162.97095 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