CID 165942117

En300-28230305

Structural Information

Molecular Formula
C7H6Cl2N2O2
SMILES
C1COC2=C(O1)C(=NC(=N2)CCl)Cl
InChI
InChI=1S/C7H6Cl2N2O2/c8-3-4-10-6(9)5-7(11-4)13-2-1-12-5/h1-3H2
InChIKey
AYVIZHGITRNEKB-UHFFFAOYSA-N
Compound name
4-chloro-2-(chloromethyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.98064 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.98792 140.3
[M+Na]+ 242.96986 156.2
[M+NH4]+ 238.01446 149.3
[M+K]+ 258.94380 149.3
[M-H]- 218.97336 144.4
[M+Na-2H]- 240.95531 146.1
[M]+ 219.98009 144.4
[M]- 219.98119 144.4
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

No patent data available for this compound.