CID 29035

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

Structural Information

Molecular Formula
C5H5Cl2N3O
SMILES
CCOC1=NC(=NC(=N1)Cl)Cl
InChI
InChI=1S/C5H5Cl2N3O/c1-2-11-5-9-3(6)8-4(7)10-5/h2H2,1H3
InChIKey
HMSBXLTWCMFPDZ-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-ethoxy-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

192.98097 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.988246 131.5
[M+Na]+ 215.970188 143.2
[M-H]- 191.973694 130.6
[M+NH4]+ 211.014793 148.5
[M+K]+ 231.944128 139.3
[M+H-H2O]+ 175.978230 124.8
[M+HCOO]- 237.979171 143.5
[M+CH3COO]- 251.994821 180.5
[M+Na-2H]- 213.955636 139.1
[M]+ 192.98042142 135.9
[M]- 192.98151858 135.9
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