CID 18450

2-chloro-4,6-dimethoxy-1,3,5-triazine

Structural Information

Molecular Formula
C5H6ClN3O2
SMILES
COC1=NC(=NC(=N1)Cl)OC
InChI
InChI=1S/C5H6ClN3O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1-2H3
InChIKey
GPIQOFWTZXXOOV-UHFFFAOYSA-N
Compound name
2-chloro-4,6-dimethoxy-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

6305
Patents

175.01485 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.02213 129.6
[M+Na]+ 198.00407 141.2
[M-H]- 174.00757 129.7
[M+NH4]+ 193.04867 147.1
[M+K]+ 213.97801 139.1
[M+H-H2O]+ 158.01211 122.5
[M+HCOO]- 220.01305 147.2
[M+CH3COO]- 234.02870 177.7
[M+Na-2H]- 195.98952 138.1
[M]+ 175.01430 134.9
[M]- 175.01540 134.9
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