CID 126981076

4-chloro-6-(chloromethyl)-2-cyclopropylpyrimidine

Structural Information

Molecular Formula
C8H8Cl2N2
SMILES
C1CC1C2=NC(=CC(=N2)Cl)CCl
InChI
InChI=1S/C8H8Cl2N2/c9-4-6-3-7(10)12-8(11-6)5-1-2-5/h3,5H,1-2,4H2
InChIKey
AXKCODCFFSBWQY-UHFFFAOYSA-N
Compound name
4-chloro-6-(chloromethyl)-2-cyclopropylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.00645 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01373 139.8
[M+Na]+ 224.99567 151.5
[M-H]- 200.99917 143.4
[M+NH4]+ 220.04027 152.8
[M+K]+ 240.96961 145.7
[M+H-H2O]+ 185.00371 132.5
[M+HCOO]- 247.00465 152.8
[M+CH3COO]- 261.02030 152.1
[M+Na-2H]- 222.98112 145.7
[M]+ 202.00590 144.1
[M]- 202.00700 144.1
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

No patent data available for this compound.