CID 26302

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

Structural Information

Molecular Formula
C7H9Cl2N3O
SMILES
CCCCOC1=NC(=NC(=N1)Cl)Cl
InChI
InChI=1S/C7H9Cl2N3O/c1-2-3-4-13-7-11-5(8)10-6(9)12-7/h2-4H2,1H3
InChIKey
ZTNVNAIEXWYGML-UHFFFAOYSA-N
Compound name
2-butoxy-4,6-dichloro-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

221.01227 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.01955 142.3
[M+Na]+ 244.00149 157.3
[M+NH4]+ 239.04609 149.9
[M+K]+ 259.97543 149.9
[M-H]- 220.00499 142.5
[M+Na-2H]- 241.98694 149.2
[M]+ 221.01172 145.0
[M]- 221.01282 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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