CID 12685528

2,4-dichloro-5-methyl-6-phenylpyrimidine

Structural Information

Molecular Formula
C11H8Cl2N2
SMILES
CC1=C(N=C(N=C1Cl)Cl)C2=CC=CC=C2
InChI
InChI=1S/C11H8Cl2N2/c1-7-9(8-5-3-2-4-6-8)14-11(13)15-10(7)12/h2-6H,1H3
InChIKey
MIOVUZDBKROLPF-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-methyl-6-phenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.00645 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.01373 146.2
[M+Na]+ 260.99567 158.0
[M-H]- 236.99917 149.8
[M+NH4]+ 256.04027 162.8
[M+K]+ 276.96961 151.5
[M+H-H2O]+ 221.00371 138.9
[M+HCOO]- 283.00465 158.9
[M+CH3COO]- 297.02030 159.1
[M+Na-2H]- 258.98112 152.5
[M]+ 238.00590 149.4
[M]- 238.00700 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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