CID 33570

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

Structural Information

Molecular Formula
C6H7Cl2N3O
SMILES
CCCOC1=NC(=NC(=N1)Cl)Cl
InChI
InChI=1S/C6H7Cl2N3O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2-3H2,1H3
InChIKey
SVHHRUHQFRFOIQ-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-propoxy-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

206.99661 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.00389 136.0
[M+Na]+ 229.98583 147.3
[M-H]- 205.98933 135.0
[M+NH4]+ 225.03043 152.5
[M+K]+ 245.95977 143.2
[M+H-H2O]+ 189.99387 129.1
[M+HCOO]- 251.99481 147.7
[M+CH3COO]- 266.01046 183.4
[M+Na-2H]- 227.97128 143.2
[M]+ 206.99606 140.8
[M]- 206.99716 140.8
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