CID 2775259

2-benzyl-4,6-dichloropyrimidine

Structural Information

Molecular Formula
C11H8Cl2N2
SMILES
C1=CC=C(C=C1)CC2=NC(=CC(=N2)Cl)Cl
InChI
InChI=1S/C11H8Cl2N2/c12-9-7-10(13)15-11(14-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey
ACEVCJQVGFNGAU-UHFFFAOYSA-N
Compound name
2-benzyl-4,6-dichloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

238.00645 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.01373 146.3
[M+Na]+ 260.99567 157.0
[M-H]- 236.99917 149.4
[M+NH4]+ 256.04027 162.5
[M+K]+ 276.96961 150.5
[M+H-H2O]+ 221.00371 138.6
[M+HCOO]- 283.00465 158.9
[M+CH3COO]- 297.02030 158.7
[M+Na-2H]- 258.98112 153.2
[M]+ 238.00590 149.0
[M]- 238.00700 149.0
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