CID 588935

2-chloro-4-methoxypyrimidine

Structural Information

Molecular Formula
C5H5ClN2O
SMILES
COC1=NC(=NC=C1)Cl
InChI
InChI=1S/C5H5ClN2O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3
InChIKey
BDXYNMVQMBCTDB-UHFFFAOYSA-N
Compound name
2-chloro-4-methoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1376
Patents

144.00903 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.01631 123.1
[M+Na]+ 166.99825 138.1
[M+NH4]+ 162.04285 132.0
[M+K]+ 182.97219 131.3
[M-H]- 143.00175 124.4
[M+Na-2H]- 164.98370 131.5
[M]+ 144.00848 125.9
[M]- 144.00958 125.9
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

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