CID 87773888

2,4-dichloro-6-(oxolan-3-yloxy)pyrimidine

Structural Information

Molecular Formula
C8H8Cl2N2O2
SMILES
C1COCC1OC2=CC(=NC(=N2)Cl)Cl
InChI
InChI=1S/C8H8Cl2N2O2/c9-6-3-7(12-8(10)11-6)14-5-1-2-13-4-5/h3,5H,1-2,4H2
InChIKey
XOXRWGJQJJXHSL-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-(oxolan-3-yloxy)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

233.99628 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.00356 145.4
[M+Na]+ 256.98550 155.1
[M-H]- 232.98900 149.1
[M+NH4]+ 252.03010 162.1
[M+K]+ 272.95944 152.0
[M+H-H2O]+ 216.99354 138.2
[M+HCOO]- 278.99448 156.3
[M+CH3COO]- 293.01013 157.9
[M+Na-2H]- 254.97095 149.7
[M]+ 233.99573 148.1
[M]- 233.99683 148.1
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

patents stripe