CID 16083

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

939
Patents

162.9704 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe