CID 84514

2,4-bis(allyloxy)-6-chloro-1,3,5-triazine

Structural Information

Molecular Formula
C9H10ClN3O2
SMILES
C=CCOC1=NC(=NC(=N1)Cl)OCC=C
InChI
InChI=1S/C9H10ClN3O2/c1-3-5-14-8-11-7(10)12-9(13-8)15-6-4-2/h3-4H,1-2,5-6H2
InChIKey
DGBZQPVIQOKMQQ-UHFFFAOYSA-N
Compound name
2-chloro-4,6-bis(prop-2-enoxy)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

227.04616 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.053436 145.7
[M+Na]+ 250.035378 156.1
[M-H]- 226.038884 145.2
[M+NH4]+ 245.079983 160.9
[M+K]+ 266.009318 151.8
[M+H-H2O]+ 210.043420 137.9
[M+HCOO]- 272.044361 162.3
[M+CH3COO]- 286.060011 187.9
[M+Na-2H]- 248.020826 152.1
[M]+ 227.04561142 151.0
[M]- 227.04670858 151.0
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