CID 17810

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

Structural Information

Molecular Formula
C3HCl2N3
SMILES
C1=NC(=NC(=N1)Cl)Cl
InChI
InChI=1S/C3HCl2N3/c4-2-6-1-7-3(5)8-2/h1H
InChIKey
OMRXVBREYFZQHU-UHFFFAOYSA-N
Compound name
2,4-dichloro-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

6585
Patents

148.95476 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.96204 119.8
[M+Na]+ 171.94398 131.5
[M-H]- 147.94748 118.8
[M+NH4]+ 166.98858 138.2
[M+K]+ 187.91792 127.6
[M+H-H2O]+ 131.95202 113.3
[M+HCOO]- 193.95296 132.2
[M+CH3COO]- 207.96861 133.5
[M+Na-2H]- 169.92943 129.3
[M]+ 148.95421 121.6
[M]- 148.95531 121.6
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