CID 12465381

4-chloro-2,5-dimethylpyrimidine

Structural Information

Molecular Formula
C6H7ClN2
SMILES
CC1=CN=C(N=C1Cl)C
InChI
InChI=1S/C6H7ClN2/c1-4-3-8-5(2)9-6(4)7/h3H,1-2H3
InChIKey
QOKSKBJSPUYZAL-UHFFFAOYSA-N
Compound name
4-chloro-2,5-dimethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

142.02977 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03705 123.7
[M+Na]+ 165.01899 135.1
[M-H]- 141.02249 125.2
[M+NH4]+ 160.06359 144.1
[M+K]+ 180.99293 131.9
[M+H-H2O]+ 125.02703 117.9
[M+HCOO]- 187.02797 142.0
[M+CH3COO]- 201.04362 173.8
[M+Na-2H]- 163.00444 131.9
[M]+ 142.02922 126.1
[M]- 142.03032 126.1
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

patents stripe