CID 11148739

2-chloro-4-(4-methoxyphenyl)pyrimidine

Structural Information

Molecular Formula
C11H9ClN2O
SMILES
COC1=CC=C(C=C1)C2=NC(=NC=C2)Cl
InChI
InChI=1S/C11H9ClN2O/c1-15-9-4-2-8(3-5-9)10-6-7-13-11(12)14-10/h2-7H,1H3
InChIKey
TZERORVMIAWOMA-UHFFFAOYSA-N
Compound name
2-chloro-4-(4-methoxyphenyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

220.04034 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04762 144.8
[M+Na]+ 243.02956 162.1
[M+NH4]+ 238.07416 154.0
[M+K]+ 259.00350 153.5
[M-H]- 219.03306 148.9
[M+Na-2H]- 241.01501 155.6
[M]+ 220.03979 148.9
[M]- 220.04089 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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