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

897
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 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

literature stripe

Patent stripe

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