CID 165942117

4-chloro-2-(chloromethyl)-6h,7h-[1,4]dioxino[2,3-d]pyrimidine

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]+ 220.987916 140.0
[M+Na]+ 242.969858 150.4
[M-H]- 218.973364 142.1
[M+NH4]+ 238.014463 155.5
[M+K]+ 258.943798 148.4
[M+H-H2O]+ 202.977900 133.5
[M+HCOO]- 264.978841 148.1
[M+CH3COO]- 278.994491 152.5
[M+Na-2H]- 240.955306 148.8
[M]+ 219.98009142 143.6
[M]- 219.98118858 143.6
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.